5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide

C22H21N3O2 — CID 46954671

IUPAC5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N(C)Cc3cccc4ncccc34)cc2c1
InChIInChI=1S/C22H21N3O2/c1-3-27-17-9-10-19-16(12-17)13-21(24-19)22(26)25(2)14-15-6-4-8-20-18(15)7-5-11-23-20/h4-13,24H,3,14H2,1-2H3
InChIKeyRJDYLBIARRCPND-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.39
Rot. Bonds5

About 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide

5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 46954671) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
PubChem CID46954671
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N(C)Cc3cccc4ncccc34)cc2c1
InChIInChI=1S/C22H21N3O2/c1-3-27-17-9-10-19-16(12-17)13-21(24-19)22(26)25(2)14-15-6-4-8-20-18(15)7-5-11-23-20/h4-13,24H,3,14H2,1-2H3
InChIKeyRJDYLBIARRCPND-UHFFFAOYSA-N
XLogP4.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 86853852
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 56905403
N-[(2-hydroxyphenyl)methyl]-N-methyl-3H-benzo[e]indole-2-carboxamide
CID 71891274
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
CID 166244775
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide (CID 46954671) is 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)N(C)Cc3cccc4ncccc34)cc2c1.
What is the InChIKey of 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is RJDYLBIARRCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-27-17-9-10-19-16(12-17)13-21(24-19)22(26)25(2)14-15-6-4-8-20-18(15)7-5-11-23-20/h4-13,24H,3,14H2,1-2H3.
What are the key properties of 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide?
5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46954671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).