2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide

C21H17N3O2 — CID 167993084

IUPAC2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)NCc3cc(=O)[nH]c4ccccc34)c2n1
InChIInChI=1S/C21H17N3O2/c1-13-9-10-14-5-4-7-17(20(14)23-13)21(26)22-12-15-11-19(25)24-18-8-3-2-6-16(15)18/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyZIOLWJFUECNBNO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.31
Rot. Bonds3

About 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide

2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide (PubChem CID 167993084) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide
PubChem CID167993084
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)NCc3cc(=O)[nH]c4ccccc34)c2n1
InChIInChI=1S/C21H17N3O2/c1-13-9-10-14-5-4-7-17(20(14)23-13)21(26)22-12-15-11-19(25)24-18-8-3-2-6-16(15)18/h2-11H,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyZIOLWJFUECNBNO-UHFFFAOYSA-N
XLogP3.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
CID 119429883
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70756563
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide?
The IUPAC name of 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide (CID 167993084) is 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide is Cc1ccc2cccc(C(=O)NCc3cc(=O)[nH]c4ccccc34)c2n1.
What is the InChIKey of 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide?
The InChIKey is ZIOLWJFUECNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-9-10-14-5-4-7-17(20(14)23-13)21(26)22-12-15-11-19(25)24-18-8-3-2-6-16(15)18/h2-11H,12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide?
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 167993084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).