ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate

C20H15N3O3 — CID 70014598

IUPACethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O
InChIInChI=1S/C20H15N3O3/c1-2-26-20(25)15-12-23(19-14(18(15)24)8-5-11-22-19)16-9-3-6-13-7-4-10-21-17(13)16/h3-12H,2H2,1H3
InChIKeyVKSAMFRNPUKHNW-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.11
Rot. Bonds3

About ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate

ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 70014598) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
PubChem CID70014598
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Nameethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O
InChIInChI=1S/C20H15N3O3/c1-2-26-20(25)15-12-23(19-14(18(15)24)8-5-11-22-19)16-9-3-6-13-7-4-10-21-17(13)16/h3-12H,2H2,1H3
InChIKeyVKSAMFRNPUKHNW-UHFFFAOYSA-N
XLogP3.11
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11659719
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 91367850
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 1-[3-[2-(1-hydroxypyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxylate
CID 160692055
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 8-methylfuro[2,3-h]quinoline-6-carboxylate
CID 51350321
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate (CID 70014598) is ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2cccc3cccnc23)c2ncccc2c1=O.
What is the InChIKey of ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is VKSAMFRNPUKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-2-26-20(25)15-12-23(19-14(18(15)24)8-5-11-22-19)16-9-3-6-13-7-4-10-21-17(13)16/h3-12H,2H2,1H3.
What are the key properties of ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate?
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 70014598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).