4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid

C18H11N3O3 — CID 70010982

IUPAC4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O
InChIInChI=1S/C18H11N3O3/c22-16-12-6-3-9-20-17(12)21(10-13(16)18(23)24)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,23,24)
InChIKeyOQGBMWGIAOPJEF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.63
Rot. Bonds2

About 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid

4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70010982) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID70010982
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O
InChIInChI=1S/C18H11N3O3/c22-16-12-6-3-9-20-17(12)21(10-13(16)18(23)24)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,23,24)
InChIKeyOQGBMWGIAOPJEF-UHFFFAOYSA-N
XLogP2.63
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 175942227
1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 155679213
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
palladium;quinoline-8-carboxylic acid
CID 174945118
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
benzo[h]quinoline-6,7-dicarboxylic acid
CID 67796843
quinoline-7,8-dicarboxylic acid
CID 19101920
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid (CID 70010982) is 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O.
What is the InChIKey of 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is OQGBMWGIAOPJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-16-12-6-3-9-20-17(12)21(10-13(16)18(23)24)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,23,24).
What are the key properties of 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid?
4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70010982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).