6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide

C21H20ClN3O2 — CID 55724271

IUPAC6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)c1
InChIInChI=1S/C21H20ClN3O2/c1-3-23-20(26)15-6-4-5-14(9-15)12-24-21(27)18-11-16-10-17(22)7-8-19(16)25-13(18)2/h4-11H,3,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNEYXSPDDSMCPBN-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.88
Rot. Bonds5

About 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide (PubChem CID 55724271) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
PubChem CID55724271
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)c1
InChIInChI=1S/C21H20ClN3O2/c1-3-23-20(26)15-6-4-5-14(9-15)12-24-21(27)18-11-16-10-17(22)7-8-19(16)25-13(18)2/h4-11H,3,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNEYXSPDDSMCPBN-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873834
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257
3-[[[N'-[(3-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111175891
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide (CID 55724271) is 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)c1.
What is the InChIKey of 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide?
The InChIKey is NEYXSPDDSMCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-3-23-20(26)15-6-4-5-14(9-15)12-24-21(27)18-11-16-10-17(22)7-8-19(16)25-13(18)2/h4-11H,3,12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55724271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).