N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide

C19H18N2O3 — CID 110001825

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-13-16(14-6-2-1-3-7-14)20-19(24)12-21-11-10-18(23)15-8-4-5-9-17(15)21/h1-11,16,22H,12-13H2,(H,20,24)/t16-/m1/s1
InChIKeyNRIBNBUQROAEEP-MRXNPFEDSA-N
MW322.36 g/mol
LogP1.85
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 110001825) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID110001825
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-13-16(14-6-2-1-3-7-14)20-19(24)12-21-11-10-18(23)15-8-4-5-9-17(15)21/h1-11,16,22H,12-13H2,(H,20,24)/t16-/m1/s1
InChIKeyNRIBNBUQROAEEP-MRXNPFEDSA-N
XLogP1.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclobutyl(phenyl)methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 71933283
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780650
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 110001825) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is NRIBNBUQROAEEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-13-16(14-6-2-1-3-7-14)20-19(24)12-21-11-10-18(23)15-8-4-5-9-17(15)21/h1-11,16,22H,12-13H2,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 110001825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).