2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid

C18H16N2O4 — CID 56613760

IUPAC2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCCc1c(C=Cc2ccco2)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C18H16N2O4/c1-2-4-14-15(8-7-13-5-3-10-24-13)19-16-9-6-12(18(22)23)11-20(16)17(14)21/h3,5-11H,2,4H2,1H3,(H,22,23)
InChIKeyOVXYIQVVTFQWAA-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid

2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 56613760) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID56613760
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCCCc1c(C=Cc2ccco2)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C18H16N2O4/c1-2-4-14-15(8-7-13-5-3-10-24-13)19-16-9-6-12(18(22)23)11-20(16)17(14)21/h3,5-11H,2,4H2,1H3,(H,22,23)
InChIKeyOVXYIQVVTFQWAA-UHFFFAOYSA-N
XLogP3.11
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435026
3-butyl-2-[2-(4-methylphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56609004
4-oxo-3-propyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531113
2-[2-(furan-2-yl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 54309538
3-butyl-4-oxo-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635750
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
2-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531135
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435022
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20555049
2-[2-(2,4-dimethylphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56617409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 56613760) is 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid is CCCc1c(C=Cc2ccco2)nc2ccc(C(=O)O)cn2c1=O.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is OVXYIQVVTFQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-4-14-15(8-7-13-5-3-10-24-13)19-16-9-6-12(18(22)23)11-20(16)17(14)21/h3,5-11H,2,4H2,1H3,(H,22,23).
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid?
2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 56613760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).