2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one

C17H13ClN2O — CID 71901926

IUPAC2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C=C(Cl)c2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-5-7-13(8-6-12)10-14(18)15-11-17(21)20-9-3-2-4-16(20)19-15/h2-11H,1H3
InChIKeyXIWVCNPCRSUHEI-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.74
Rot. Bonds2

About 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one

2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71901926) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71901926
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C=C(Cl)c2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-5-7-13(8-6-12)10-14(18)15-11-17(21)20-9-3-2-4-16(20)19-15/h2-11H,1H3
InChIKeyXIWVCNPCRSUHEI-UHFFFAOYSA-N
XLogP3.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032466
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032368
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032588
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 9037308
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027218
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[(Z)-1-chloro-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027137
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 12843616
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 42897218

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (CID 71901926) is 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(C=C(Cl)c2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XIWVCNPCRSUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-5-7-13(8-6-12)10-14(18)15-11-17(21)20-9-3-2-4-16(20)19-15/h2-11H,1H3.
What are the key properties of 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 296.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71901926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).