7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H18Cl2N4O2 — CID 55544325

IUPAC7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-3-1-2-14(10-15)20(28)25-8-6-24(7-9-25)13-17-11-19(27)26-12-16(22)4-5-18(26)23-17/h1-5,10-12H,6-9,13H2
InChIKeyLQRCVXVUMUZWNR-UHFFFAOYSA-N
MW417.30 g/mol
LogP2.96
Rot. Bonds3

About 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55544325) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55544325
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-3-1-2-14(10-15)20(28)25-8-6-24(7-9-25)13-17-11-19(27)26-12-16(22)4-5-18(26)23-17/h1-5,10-12H,6-9,13H2
InChIKeyLQRCVXVUMUZWNR-UHFFFAOYSA-N
XLogP2.96
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55543571
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50802811
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46827842
5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146045928
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
7-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 86774691
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55544325) is 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LQRCVXVUMUZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c21-15-3-1-2-14(10-15)20(28)25-8-6-24(7-9-25)13-17-11-19(27)26-12-16(22)4-5-18(26)23-17/h1-5,10-12H,6-9,13H2.
What are the key properties of 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 417.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(3-chlorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55544325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).