SEQ
- Molecular formula
- C17 H21 N3
- Molecular weight (g/mol)
- 267.38
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
- SMILES
- c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4
- Isomeric SMILES
- c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4
- InChI
- InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
- InChIKey
- ZQMGQZOHIDOPCQ-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 1
- TPSA (Ų)
- 37.81
- cLogP
- 4.25
- Chiral atoms
- 0
- Molar refractivity
- 82.01
- Rings
- 4
- Aromatic rings
- 2
- Fraction Csp³
- 0.53
- Formal charge
- 0
Calculated properties
QED0.903
NPScore-0.181224336
SAScore4.95197279