3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

C12H12N2O3 — CID 154321070

IUPAC3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C12H12N2O3/c1-3-9-7(2)13-10-5-4-8(12(16)17)6-14(10)11(9)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyOZZVZVPNJYBHOH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds2

About 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 154321070) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID154321070
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C12H12N2O3/c1-3-9-7(2)13-10-5-4-8(12(16)17)6-14(10)11(9)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyOZZVZVPNJYBHOH-UHFFFAOYSA-N
XLogP1.26
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531101
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435026
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
3-butyl-2-[2-(4-methylphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56609004
2-[2-(5-methylthiophen-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635809
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-dimethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435022
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 154321070) is 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is CCc1c(C)nc2ccc(C(=O)O)cn2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is OZZVZVPNJYBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-9-7(2)13-10-5-4-8(12(16)17)6-14(10)11(9)15/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 154321070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).