2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide

C17H18N4O — CID 86798644

IUPAC2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3cncn3C)ccc2n1
InChIInChI=1S/C17H18N4O/c1-12-3-4-13-9-14(5-6-16(13)20-12)17(22)19-8-7-15-10-18-11-21(15)2/h3-6,9-11H,7-8H2,1-2H3,(H,19,22)
InChIKeyBJWNEYCSOMERKA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide

2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide (PubChem CID 86798644) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
PubChem CID86798644
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3cncn3C)ccc2n1
InChIInChI=1S/C17H18N4O/c1-12-3-4-13-9-14(5-6-16(13)20-12)17(22)19-8-7-15-10-18-11-21(15)2/h3-6,9-11H,7-8H2,1-2H3,(H,19,22)
InChIKeyBJWNEYCSOMERKA-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
CID 154735511
2-chloro-3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide
CID 118454012
2-(3-methylimidazol-4-yl)ethylurea
CID 141391466
N-[(3,4-dihydroxyphenyl)methyl]-2-methylquinoline-6-carboxamide
CID 86783878
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
CID 81221022
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75455855
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 122151280
4,4-difluoro-N-[2-(3-methylimidazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 86798626
6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 167958178
N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
CID 143673029
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 63330822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide?
The IUPAC name of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide (CID 86798644) is 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide is Cc1ccc2cc(C(=O)NCCc3cncn3C)ccc2n1.
What is the InChIKey of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide?
The InChIKey is BJWNEYCSOMERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-3-4-13-9-14(5-6-16(13)20-12)17(22)19-8-7-15-10-18-11-21(15)2/h3-6,9-11H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide?
2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 86798644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).