N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide

C20H21N3O2 — CID 27230253

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-23(2)18(14-8-4-3-5-9-14)13-21-20(25)16-12-19(24)22-17-11-7-6-10-15(16)17/h3-12,18H,13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m1/s1
InChIKeyDXGCQZAPEHUBTK-GOSISDBHSA-N
MW335.41 g/mol
LogP2.56
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 27230253) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID27230253
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-23(2)18(14-8-4-3-5-9-14)13-21-20(25)16-12-19(24)22-17-11-7-6-10-15(16)17/h3-12,18H,13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m1/s1
InChIKeyDXGCQZAPEHUBTK-GOSISDBHSA-N
XLogP2.56
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 111119780
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 27230253) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is DXGCQZAPEHUBTK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)18(14-8-4-3-5-9-14)13-21-20(25)16-12-19(24)22-17-11-7-6-10-15(16)17/h3-12,18H,13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 27230253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).