N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide

C22H21N3O — CID 154715387

IUPACN-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(C)c2ccccc2n1
InChIInChI=1S/C22H21N3O/c1-14-11-21(25-20-10-6-3-7-17(14)20)22(24-15(2)26)12-16-13-23-19-9-5-4-8-18(16)19/h3-11,13,22-23H,12H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyRMVWBUVMJDOSGO-QFIPXVFZSA-N
MW343.43 g/mol
LogP4.44
Rot. Bonds4

About N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide

N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide (PubChem CID 154715387) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
PubChem CID154715387
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(C)c2ccccc2n1
InChIInChI=1S/C22H21N3O/c1-14-11-21(25-20-10-6-3-7-17(14)20)22(24-15(2)26)12-16-13-23-19-9-5-4-8-18(16)19/h3-11,13,22-23H,12H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyRMVWBUVMJDOSGO-QFIPXVFZSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
2-fluoro-N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]benzamide
CID 136763646
N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
CID 92585990
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68787766
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 92564350
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 136761398
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110218737
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide (CID 154715387) is N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(C)c2ccccc2n1.
What is the InChIKey of N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide?
The InChIKey is RMVWBUVMJDOSGO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-11-21(25-20-10-6-3-7-17(14)20)22(24-15(2)26)12-16-13-23-19-9-5-4-8-18(16)19/h3-11,13,22-23H,12H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide?
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 154715387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).