5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide

C22H21N3O3 — CID 70736168

IUPAC5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCCOc1cccc3cccnc13)n2C
InChIInChI=1S/C22H21N3O3/c1-25-18-9-8-17(27-2)13-16(18)14-19(25)22(26)24-11-12-28-20-7-3-5-15-6-4-10-23-21(15)20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyKFGCZAPTHORPJW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds6

About 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide

5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide (PubChem CID 70736168) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
PubChem CID70736168
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCCOc1cccc3cccnc13)n2C
InChIInChI=1S/C22H21N3O3/c1-25-18-9-8-17(27-2)13-16(18)14-19(25)22(26)24-11-12-28-20-7-3-5-15-6-4-10-23-21(15)20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyKFGCZAPTHORPJW-UHFFFAOYSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
CID 56585571
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
CID 72885216
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide (CID 70736168) is 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NCCOc1cccc3cccnc13)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide?
The InChIKey is KFGCZAPTHORPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25-18-9-8-17(27-2)13-16(18)14-19(25)22(26)24-11-12-28-20-7-3-5-15-6-4-10-23-21(15)20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide?
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide is sourced from PubChem (CID 70736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).