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

C24H24Cl2N4O3 — CID 68755968

IUPAC6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NCCCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C24H24Cl2N4O3/c1-33-30-23(32)20-15-29(22(31)17-6-10-19(26)11-7-17)14-12-21(20)28-24(30)27-13-2-3-16-4-8-18(25)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,27,28)
InChIKeyNLIPXNMBKUBYPK-UHFFFAOYSA-N
MW487.39 g/mol
LogP3.85
Rot. Bonds7

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

6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 68755968) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID68755968
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NCCCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C24H24Cl2N4O3/c1-33-30-23(32)20-15-29(22(31)17-6-10-19(26)11-7-17)14-12-21(20)28-24(30)27-13-2-3-16-4-8-18(25)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,27,28)
InChIKeyNLIPXNMBKUBYPK-UHFFFAOYSA-N
XLogP3.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)ethylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66689706
6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66695183
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
3-fluoro-4-[3-methoxy-4-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile;hydrochloride
CID 68758019
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-6-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66686127
6-(4-chlorobenzoyl)-2-(4-ethylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622536
3-methoxy-6-[2-(4-methylphenoxy)acetyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 91404695
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)-3-(ethylaminooxy)-2-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 162559794
(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
6-(3,4-dimethylbenzoyl)-3-methoxy-2-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 136649532
3-ethoxy-6-(2-methylbutanoyl)-2-[[4-(trifluoromethyl)phenyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 91305487

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 68755968) is 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COn1c(NCCCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NLIPXNMBKUBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-33-30-23(32)20-15-29(22(31)17-6-10-19(26)11-7-17)14-12-21(20)28-24(30)27-13-2-3-16-4-8-18(25)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,27,28).
What are the key properties of 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 487.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-2-[3-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 68755968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).