2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

C17H11ClN2O3 — CID 54148549

IUPAC2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccccc3Cl)cc(=O)n2c1
InChIInChI=1S/C17H11ClN2O3/c18-14-4-2-1-3-11(14)5-7-13-9-16(21)20-10-12(17(22)23)6-8-15(20)19-13/h1-10H,(H,22,23)
InChIKeyOGBYXZYSQDUUBY-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 54148549) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID54148549
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccccc3Cl)cc(=O)n2c1
InChIInChI=1S/C17H11ClN2O3/c18-14-4-2-1-3-11(14)5-7-13-9-16(21)20-10-12(17(22)23)6-8-15(20)19-13/h1-10H,(H,22,23)
InChIKeyOGBYXZYSQDUUBY-UHFFFAOYSA-N
XLogP3.22
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531114
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20555049
2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 54309538
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
2-[2-(2,4-dimethylphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56617409
6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54201486
3-ethyl-4-oxo-2-[2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56621074
3-ethyl-4-oxo-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531127
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531101
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6251421
2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 82355587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 54148549) is 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is O=C(O)c1ccc2nc(C=Cc3ccccc3Cl)cc(=O)n2c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is OGBYXZYSQDUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-14-4-2-1-3-11(14)5-7-13-9-16(21)20-10-12(17(22)23)6-8-15(20)19-13/h1-10H,(H,22,23).
What are the key properties of 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 326.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 54148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).