7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one

C18H16ClN3O — CID 156514213

IUPAC7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2cccc(C3CC3)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H16ClN3O/c1-20-17-15-8-7-13(19)10-16(15)22(18(23)21-17)14-4-2-3-12(9-14)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,21,23)
InChIKeyPHXKTOVNUQRPDI-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.96
Rot. Bonds3

About 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one

7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one (PubChem CID 156514213) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one
PubChem CID156514213
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2cccc(C3CC3)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H16ClN3O/c1-20-17-15-8-7-13(19)10-16(15)22(18(23)21-17)14-4-2-3-12(9-14)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,21,23)
InChIKeyPHXKTOVNUQRPDI-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one?
The IUPAC name of 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one (CID 156514213) is 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one.
What is the SMILES notation for 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one?
The canonical SMILES for 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one is CNc1nc(=O)n(-c2cccc(C3CC3)c2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one?
The InChIKey is PHXKTOVNUQRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-20-17-15-8-7-13(19)10-16(15)22(18(23)21-17)14-4-2-3-12(9-14)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,20,21,23).
What are the key properties of 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one?
7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one has a molecular weight of 325.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-cyclopropylphenyl)-4-(methylamino)quinazolin-2-one is sourced from PubChem (CID 156514213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).