6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide

C21H18ClN3O — CID 41359467

IUPAC6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-13-18(11-15-10-16(22)6-7-19(15)25-13)21(26)23-9-8-14-12-24-20-5-3-2-4-17(14)20/h2-7,10-12,24H,8-9H2,1H3,(H,23,26)
InChIKeyKCLSJVKHCPEASP-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.65
Rot. Bonds4

About 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide (PubChem CID 41359467) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
PubChem CID41359467
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-13-18(11-15-10-16(22)6-7-19(15)25-13)21(26)23-9-8-14-12-24-20-5-3-2-4-17(14)20/h2-7,10-12,24H,8-9H2,1H3,(H,23,26)
InChIKeyKCLSJVKHCPEASP-UHFFFAOYSA-N
XLogP4.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
CID 86888127
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798361
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763695
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide (CID 41359467) is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide?
The InChIKey is KCLSJVKHCPEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-13-18(11-15-10-16(22)6-7-19(15)25-13)21(26)23-9-8-14-12-24-20-5-3-2-4-17(14)20/h2-7,10-12,24H,8-9H2,1H3,(H,23,26).
What are the key properties of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 41359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).