N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide

C18H16N2O3 — CID 28934807

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-16(12-6-2-1-3-7-12)11-19-18(23)14-10-17(22)20-15-9-5-4-8-13(14)15/h1-10,16,21H,11H2,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyJJHAMVJGVBEAGI-INIZCTEOSA-N
MW308.34 g/mol
LogP1.99
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 28934807) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID28934807
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-16(12-6-2-1-3-7-12)11-19-18(23)14-10-17(22)20-15-9-5-4-8-13(14)15/h1-10,16,21H,11H2,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyJJHAMVJGVBEAGI-INIZCTEOSA-N
XLogP1.99
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 111119780
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
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-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 28934807) is N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JJHAMVJGVBEAGI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16(12-6-2-1-3-7-12)11-19-18(23)14-10-17(22)20-15-9-5-4-8-13(14)15/h1-10,16,21H,11H2,(H,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 28934807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).