4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid

C12H10N2O3 — CID 70598090

IUPAC4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1cc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C12H10N2O3/c1-2-6-14-7-9(12(16)17)10(15)8-4-3-5-13-11(8)14/h2-5,7H,1,6H2,(H,16,17)
InChIKeyRGHGCZKWQAGQNG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.28
Rot. Bonds3

About 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid

4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70598090) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID70598090
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1cc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C12H10N2O3/c1-2-6-14-7-9(12(16)17)10(15)8-4-3-5-13-11(8)14/h2-5,7H,1,6H2,(H,16,17)
InChIKeyRGHGCZKWQAGQNG-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 70566888
4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 10426426
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 155679213
2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 2763481
1-[1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 118567251
1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
CID 2768415
1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70240187
1-[1-(4-butoxybutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 141421133
1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 18331271

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid (CID 70598090) is 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid is C=CCn1cc(C(=O)O)c(=O)c2cccnc21.
What is the InChIKey of 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RGHGCZKWQAGQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-2-6-14-7-9(12(16)17)10(15)8-4-3-5-13-11(8)14/h2-5,7H,1,6H2,(H,16,17).
What are the key properties of 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid?
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70598090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).