N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C20H19ClN2O3 — CID 54690848

IUPACN-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCN(C(=O)c1c(O)c2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-2-3-11-23(14-8-6-7-13(21)12-14)20(26)17-18(24)15-9-4-5-10-16(15)22-19(17)25/h4-10,12H,2-3,11H2,1H3,(H2,22,24,25)
InChIKeyNERDUYYXCZWRSK-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.33
Rot. Bonds5

About N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54690848) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54690848
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCCN(C(=O)c1c(O)c2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-2-3-11-23(14-8-6-7-13(21)12-14)20(26)17-18(24)15-9-4-5-10-16(15)22-19(17)25/h4-10,12H,2-3,11H2,1H3,(H2,22,24,25)
InChIKeyNERDUYYXCZWRSK-UHFFFAOYSA-N
XLogP4.33
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54706987
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide
CID 71106740
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081
5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 66957079
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-(3-chlorophenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740649
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
3-[[2-(3-chlorophenyl)-1H-indol-3-yl]-propylamino]benzoic acid
CID 178040966
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 66586923

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54690848) is N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CCCCN(C(=O)c1c(O)c2ccccc2[nH]c1=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NERDUYYXCZWRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-2-3-11-23(14-8-6-7-13(21)12-14)20(26)17-18(24)15-9-4-5-10-16(15)22-19(17)25/h4-10,12H,2-3,11H2,1H3,(H2,22,24,25).
What are the key properties of N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54690848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).