7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one

C17H16ClN3O — CID 155899145

IUPAC7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
SMILESCc1cccc(-n2c(=O)nc(N(C)C)c3ccc(Cl)cc32)c1
InChIInChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
InChIKeyCQCXBTFANPRPTE-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.41
Rot. Bonds2

About 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one

7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one (PubChem CID 155899145) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
PubChem CID155899145
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
SMILESCc1cccc(-n2c(=O)nc(N(C)C)c3ccc(Cl)cc32)c1
InChIInChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
InChIKeyCQCXBTFANPRPTE-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393
4-(dimethylamino)-7-fluoro-1-phenyl-quinazolin-2(1H)-one
CID 150172604
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
CID 150174446
7-chloro-4((2,2-difluoroethyl)amino)-1-phenyl-quinazolin-2 (1H)-one
CID 151690232
4-(Dimethylamino)-7-chloro-1-(4-fluorophenyl)-hydroquinazolin-2-one
CID 152022594

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one?
The IUPAC name of 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one (CID 155899145) is 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one is Cc1cccc(-n2c(=O)nc(N(C)C)c3ccc(Cl)cc32)c1.
What is the InChIKey of 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one?
The InChIKey is CQCXBTFANPRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3.
What are the key properties of 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one?
7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one is sourced from PubChem (CID 155899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).