7-chloro-4-(methylamino)-1-phenylquinazolin-2-one

C15H12ClN3O — CID 150866826

IUPAC7-chloro-4-(methylamino)-1-phenylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyKTFNCXUTCFGSLS-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.08
Rot. Bonds2

About 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one

7-chloro-4-(methylamino)-1-phenylquinazolin-2-one (PubChem CID 150866826) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(methylamino)-1-phenylquinazolin-2-one
PubChem CID150866826
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name7-chloro-4-(methylamino)-1-phenylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C15H12ClN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20)
InChIKeyKTFNCXUTCFGSLS-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
7-chloroquinazolin-2(1H)-one
CID 12413924
1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
1-(2-chlorophenyl)-7-cyclopropyl-6-fluoro-4-(methylamino)quinazolin-2(1H)-one
CID 148114661
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one (CID 150866826) is 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one is CNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one?
The InChIKey is KTFNCXUTCFGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-17-14-12-8-7-10(16)9-13(12)19(15(20)18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,20).
What are the key properties of 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one?
7-chloro-4-(methylamino)-1-phenylquinazolin-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(methylamino)-1-phenylquinazolin-2-one is sourced from PubChem (CID 150866826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).