1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H18N2O5 — CID 70240187

IUPAC1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1
InChIInChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23)
InChIKeyWWNDFKSNEICRKN-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70240187) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID70240187
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1
InChIInChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23)
InChIKeyWWNDFKSNEICRKN-UHFFFAOYSA-N
XLogP2.14
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 18331271
N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70240373
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 84681720
ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
CID 139840840
1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20714272
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074
benzyl 4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]piperidine-1-carboxylate
CID 15908301
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 70240187) is 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC(=O)OC1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)CC1.
What is the InChIKey of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WWNDFKSNEICRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10(20)24-12-6-4-11(5-7-12)19-9-14(17(22)23)15(21)13-3-2-8-18-16(13)19/h2-3,8-9,11-12H,4-7H2,1H3,(H,22,23).
What are the key properties of 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyloxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70240187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).