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

C21H19N3O2 — CID 97116272

IUPACN-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c1-13(19-11-14-7-3-5-9-17(14)22-19)24(2)21(26)16-12-20(25)23-18-10-6-4-8-15(16)18/h3-13,22H,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBMIHIQQLKMXVQE-CYBMUJFWSA-N
MW345.40 g/mol
LogP3.84
Rot. Bonds3

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

N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 97116272) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID97116272
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c1-13(19-11-14-7-3-5-9-17(14)22-19)24(2)21(26)16-12-20(25)23-18-10-6-4-8-15(16)18/h3-13,22H,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBMIHIQQLKMXVQE-CYBMUJFWSA-N
XLogP3.84
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 22722094
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
CID 97115532
2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 120519111
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
CID 95884884
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72895408
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 97116272) is N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BMIHIQQLKMXVQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13(19-11-14-7-3-5-9-17(14)22-19)24(2)21(26)16-12-20(25)23-18-10-6-4-8-15(16)18/h3-13,22H,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).