6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C24H24Cl2N4O3 — CID 66685538

IUPAC6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N4O3/c1-3-20(15-4-8-17(25)9-5-15)27-24-28-21-12-13-29(14-19(21)23(32)30(24)33-2)22(31)16-6-10-18(26)11-7-16/h4-11,20H,3,12-14H2,1-2H3,(H,27,28)
InChIKeyRSMACJLDIQWSPI-UHFFFAOYSA-N
MW487.39 g/mol
LogP4.37
Rot. Bonds6

About 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66685538) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID66685538
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N4O3/c1-3-20(15-4-8-17(25)9-5-15)27-24-28-21-12-13-29(14-19(21)23(32)30(24)33-2)22(31)16-6-10-18(26)11-7-16/h4-11,20H,3,12-14H2,1-2H3,(H,27,28)
InChIKeyRSMACJLDIQWSPI-UHFFFAOYSA-N
XLogP4.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 66685538) is 6-(4-chlorobenzoyl)-2-[1-(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-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CCC(Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RSMACJLDIQWSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-3-20(15-4-8-17(25)9-5-15)27-24-28-21-12-13-29(14-19(21)23(32)30(24)33-2)22(31)16-6-10-18(26)11-7-16/h4-11,20H,3,12-14H2,1-2H3,(H,27,28).
What are the key properties of 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(4-chlorobenzoyl)-2-[1-(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 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66685538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).