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

C25H26Cl2N4O3 — CID 66686112

IUPAC6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C25H26Cl2N4O3/c1-15(2)22(16-4-8-18(26)9-5-16)29-25-28-21-12-13-30(14-20(21)24(33)31(25)34-3)23(32)17-6-10-19(27)11-7-17/h4-11,15,22H,12-14H2,1-3H3,(H,28,29)
InChIKeyDCCOCVJECZDOOW-UHFFFAOYSA-N
MW501.41 g/mol
LogP4.62
Rot. Bonds6

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

6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66686112) has the molecular formula C25H26Cl2N4O3 and a molecular weight of 501.41 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID66686112
Molecular FormulaC25H26Cl2N4O3
Molecular Weight501.41 g/mol
Exact Mass500.14
IUPAC Name6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C25H26Cl2N4O3/c1-15(2)22(16-4-8-18(26)9-5-16)29-25-28-21-12-13-30(14-20(21)24(33)31(25)34-3)23(32)17-6-10-19(27)11-7-17/h4-11,15,22H,12-14H2,1-3H3,(H,28,29)
InChIKeyDCCOCVJECZDOOW-UHFFFAOYSA-N
XLogP4.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 66686112) is 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-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)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COn1c(NC(c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DCCOCVJECZDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O3/c1-15(2)22(16-4-8-18(26)9-5-16)29-25-28-21-12-13-30(14-20(21)24(33)31(25)34-3)23(32)17-6-10-19(27)11-7-17/h4-11,15,22H,12-14H2,1-3H3,(H,28,29).
What are the key properties of 6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(4-chlorobenzoyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 501.41 g/mol, XLogP of 4.62, 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)-2-methylpropyl]amino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66686112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).