ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate

C18H15N3O3 — CID 4018923

IUPACethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)16-9-5-8-15(21-16)17(22)20-13-10-12-6-3-4-7-14(12)19-11-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyQBRYXOBAJBOPJB-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.06
Rot. Bonds4

About ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate

ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (PubChem CID 4018923) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
PubChem CID4018923
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Nameethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)16-9-5-8-15(21-16)17(22)20-13-10-12-6-3-4-7-14(12)19-11-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyQBRYXOBAJBOPJB-UHFFFAOYSA-N
XLogP3.06
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-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

6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
ethyl 6-[(3-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 3334727
methyl N-quinolin-3-ylcarbamate
CID 19697860
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 5169363
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (CID 4018923) is ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is QBRYXOBAJBOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-24-18(23)16-9-5-8-15(21-16)17(22)20-13-10-12-6-3-4-7-14(12)19-11-13/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 4018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).