N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide

C20H17N3O — CID 47093054

IUPACN-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)cc2c1
InChIInChI=1S/C20H17N3O/c1-12-6-7-17-14(10-12)11-16(13(2)22-17)20(24)23-19-5-3-4-18-15(19)8-9-21-18/h3-11,21H,1-2H3,(H,23,24)
InChIKeyCUTAUYVPHNRVRM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.59
Rot. Bonds2

About N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide

N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 47093054) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID47093054
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)cc2c1
InChIInChI=1S/C20H17N3O/c1-12-6-7-17-14(10-12)11-16(13(2)22-17)20(24)23-19-5-3-4-18-15(19)8-9-21-18/h3-11,21H,1-2H3,(H,23,24)
InChIKeyCUTAUYVPHNRVRM-UHFFFAOYSA-N
XLogP4.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide (CID 47093054) is N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)cc2c1.
What is the InChIKey of N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is CUTAUYVPHNRVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-12-6-7-17-14(10-12)11-16(13(2)22-17)20(24)23-19-5-3-4-18-15(19)8-9-21-18/h3-11,21H,1-2H3,(H,23,24).
What are the key properties of N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide?
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 47093054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).