N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C19H18N2O3 — CID 111119780

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-6-2-3-7-13(12)17(22)11-20-19(24)15-10-18(23)21-16-9-5-4-8-14(15)16/h2-10,17,22H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyBDCCDUHUDGZGFN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.30
Rot. Bonds4

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 111119780) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID111119780
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-6-2-3-7-13(12)17(22)11-20-19(24)15-10-18(23)21-16-9-5-4-8-14(15)16/h2-10,17,22H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyBDCCDUHUDGZGFN-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
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-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 111119780) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1ccccc1C(O)CNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BDCCDUHUDGZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-2-3-7-13(12)17(22)11-20-19(24)15-10-18(23)21-16-9-5-4-8-14(15)16/h2-10,17,22H,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 111119780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).