N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C23H19N3O2 — CID 2326991

IUPACN-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-2-28-22-13-6-5-12-20(22)26-23(27)17-15-21(19-11-7-8-14-24-19)25-18-10-4-3-9-16(17)18/h3-15H,2H2,1H3,(H,26,27)
InChIKeyVBIUMQMGZXHQGQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.95
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2326991) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2326991
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-2-28-22-13-6-5-12-20(22)26-23(27)17-15-21(19-11-7-8-14-24-19)25-18-10-4-3-9-16(17)18/h3-15H,2H2,1H3,(H,26,27)
InChIKeyVBIUMQMGZXHQGQ-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
CID 155321318
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
4-(2-Fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 25196164
Quinolinium, 8-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
CID 206462
Quinolinium, 7-amino-4-(2-methoxy-p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, dibromide
CID 3052478
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 2326991) is N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is VBIUMQMGZXHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-2-28-22-13-6-5-12-20(22)26-23(27)17-15-21(19-11-7-8-14-24-19)25-18-10-4-3-9-16(17)18/h3-15H,2H2,1H3,(H,26,27).
What are the key properties of N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2326991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).