2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide

C22H21N3O — CID 86888127

IUPAC2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C22H21N3O/c1-14-6-5-9-20-21(14)17(13-24-20)10-11-23-22(26)18-12-16-7-3-4-8-19(16)25-15(18)2/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26)
InChIKeyFCAAYMTVDVUXLD-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds4

About 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide

2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide (PubChem CID 86888127) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
PubChem CID86888127
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C22H21N3O/c1-14-6-5-9-20-21(14)17(13-24-20)10-11-23-22(26)18-12-16-7-3-4-8-19(16)25-15(18)2/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26)
InChIKeyFCAAYMTVDVUXLD-UHFFFAOYSA-N
XLogP4.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
CID 167970566
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 120610465
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 110489587
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide (CID 86888127) is 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NCCc1c[nH]c2cccc(C)c12.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is FCAAYMTVDVUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-6-5-9-20-21(14)17(13-24-20)10-11-23-22(26)18-12-16-7-3-4-8-19(16)25-15(18)2/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide?
2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 86888127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).