N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H15ClN2O3 — CID 111451138

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1Cl)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-1-5-11(14)16(22)10-21-18(24)13-9-20-15-8-4-2-6-12(15)17(13)23/h1-9,16,22H,10H2,(H,20,23)(H,21,24)
InChIKeyLEAMXIFMTQFYLZ-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 111451138) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID111451138
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1Cl)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-1-5-11(14)16(22)10-21-18(24)13-9-20-15-8-4-2-6-12(15)17(13)23/h1-9,16,22H,10H2,(H,20,23)(H,21,24)
InChIKeyLEAMXIFMTQFYLZ-UHFFFAOYSA-N
XLogP2.64
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 111119780
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 111451138) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCC(O)c1ccccc1Cl)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LEAMXIFMTQFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-7-3-1-5-11(14)16(22)10-21-18(24)13-9-20-15-8-4-2-6-12(15)17(13)23/h1-9,16,22H,10H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 111451138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).