N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide

C18H13ClN2O4 — CID 167977825

IUPACN-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C18H13ClN2O4/c1-9(22)10-2-5-16(23)15(6-10)21-18(25)13-8-17(24)20-14-4-3-11(19)7-12(13)14/h2-8,23H,1H3,(H,20,24)(H,21,25)
InChIKeyVVYLRCXBWMVTHO-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.34
Rot. Bonds3

About N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide

N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 167977825) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID167977825
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C18H13ClN2O4/c1-9(22)10-2-5-16(23)15(6-10)21-18(25)13-8-17(24)20-14-4-3-11(19)7-12(13)14/h2-8,23H,1H3,(H,20,24)(H,21,25)
InChIKeyVVYLRCXBWMVTHO-UHFFFAOYSA-N
XLogP3.34
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 29127344
6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167788830
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210561
(5-acetyl-2-hydroxyphenyl)thiourea
CID 169357208
N-(5-chloro-2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834611
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide (CID 167977825) is N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide is CC(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is VVYLRCXBWMVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-9(22)10-2-5-16(23)15(6-10)21-18(25)13-8-17(24)20-14-4-3-11(19)7-12(13)14/h2-8,23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide?
N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 167977825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).