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

C24H25Cl2N5O2 — CID 66685174

IUPAC6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl2N5O2/c1-15(16-4-8-18(25)9-5-16)27-24-28-21-12-13-30(14-20(21)23(33)31(24)29(2)3)22(32)17-6-10-19(26)11-7-17/h4-11,15H,12-14H2,1-3H3,(H,27,28)/t15-/m0/s1
InChIKeyWPWVBCPZYOIHFC-HNNXBMFYSA-N
MW486.40 g/mol
LogP4.12
Rot. Bonds5

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

6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66685174) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID66685174
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC Name6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl2N5O2/c1-15(16-4-8-18(25)9-5-16)27-24-28-21-12-13-30(14-20(21)23(33)31(24)29(2)3)22(32)17-6-10-19(26)11-7-17/h4-11,15H,12-14H2,1-3H3,(H,27,28)/t15-/m0/s1
InChIKeyWPWVBCPZYOIHFC-HNNXBMFYSA-N
XLogP4.12
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.12
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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 66685174) is 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WPWVBCPZYOIHFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-15(16-4-8-18(25)9-5-16)27-24-28-21-12-13-30(14-20(21)23(33)31(24)29(2)3)22(32)17-6-10-19(26)11-7-17/h4-11,15H,12-14H2,1-3H3,(H,27,28)/t15-/m0/s1.
What are the key properties of 6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-(4-chlorobenzoyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 486.40 g/mol, XLogP of 4.12, 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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66685174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).