6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C23H23Cl2N5O2 — CID 66695183

IUPAC6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)n1c(NCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H23Cl2N5O2/c1-28(2)30-22(32)19-14-29(21(31)16-5-9-18(25)10-6-16)12-11-20(19)27-23(30)26-13-15-3-7-17(24)8-4-15/h3-10H,11-14H2,1-2H3,(H,26,27)
InChIKeyXQNFQYRYUIJCAI-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.56
Rot. Bonds5

About 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66695183) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID66695183
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)n1c(NCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H23Cl2N5O2/c1-28(2)30-22(32)19-14-29(21(31)16-5-9-18(25)10-6-16)12-11-20(19)27-23(30)26-13-15-3-7-17(24)8-4-15/h3-10H,11-14H2,1-2H3,(H,26,27)
InChIKeyXQNFQYRYUIJCAI-UHFFFAOYSA-N
XLogP3.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-chlorobenzoyl)-3-(dimethylamino)-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one;hydrochloride
CID 127024235
6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 68755968
tert-butyl 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 66685372
6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)ethylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66689706
(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
6-[2-(4-chlorophenoxy)acetyl]-3-methoxy-2-[[4-(trifluoromethyl)phenyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 91012107
6-(4-chlorobenzoyl)-2-(4-ethylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622536
tert-butyl 2-(4-chloro-N-ethylanilino)-3-(dimethylamino)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 68757683
3-cyclopropyl-7-(3,4-dichlorobenzoyl)-2-[(4-methoxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 155113591
N-(5-chloro-2-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxo-3-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 68586516
3-chloro-1-[(4-chlorophenyl)methyl]-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
CID 1408248
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxo-3-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 68584981

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 66695183) is 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CN(C)n1c(NCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XQNFQYRYUIJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c1-28(2)30-22(32)19-14-29(21(31)16-5-9-18(25)10-6-16)12-11-20(19)27-23(30)26-13-15-3-7-17(24)8-4-15/h3-10H,11-14H2,1-2H3,(H,26,27).
What are the key properties of 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 472.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66695183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).