6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid

C13H14N2O4 — CID 604825

IUPAC6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
SMILESCCCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2n1
InChIInChI=1S/C13H14N2O4/c1-2-3-6-19-10-5-4-9-11(15-10)12(16)8(7-14-9)13(17)18/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBSMTVNCCCGVRIZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.80
Rot. Bonds5

About 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid

6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid (PubChem CID 604825) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
PubChem CID604825
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
SMILESCCCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2n1
InChIInChI=1S/C13H14N2O4/c1-2-3-6-19-10-5-4-9-11(15-10)12(16)8(7-14-9)13(17)18/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBSMTVNCCCGVRIZ-UHFFFAOYSA-N
XLogP1.80
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754120
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754133
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
CID 10112640
6-butoxy-3-hydroxypyridine-2-carboxylic acid
CID 19960286
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
2,6-dibutoxypyridine
CID 67437244
2-octadecoxyterephthalic acid
CID 142668937
4-octoxypyridine-3-carboxylic acid
CID 81226157
2-butoxybenzoic acid;carbonic acid
CID 137455653
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid (CID 604825) is 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid is CCCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2n1.
What is the InChIKey of 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is BSMTVNCCCGVRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-3-6-19-10-5-4-9-11(15-10)12(16)8(7-14-9)13(17)18/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid?
6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 604825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).