N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H14Cl2N2O3 — CID 54706358

IUPACN-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H14Cl2N2O3/c17-8-5-6-12(10(18)7-8)20-16(23)13-14(21)9-3-1-2-4-11(9)19-15(13)22/h5-7H,1-4H2,(H,20,23)(H2,19,21,22)
InChIKeyRLKWOSJLRIJTFX-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.52
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54706358) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54706358
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H14Cl2N2O3/c17-8-5-6-12(10(18)7-8)20-16(23)13-14(21)9-3-1-2-4-11(9)19-15(13)22/h5-7H,1-4H2,(H,20,23)(H2,19,21,22)
InChIKeyRLKWOSJLRIJTFX-UHFFFAOYSA-N
XLogP3.52
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706028
4-hydroxy-N-(4-methyl-2-pyridinyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54679426
N-(5-chloro-2-methylphenyl)-3-hydroxy-5-oxo-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3-triene-4-carboxamide
CID 54733524
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684650
5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 54727878
N-(5-chloro-2-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495704
N-(2,4-dichlorophenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698785
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495293
methyl 4-hydroxy-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 70278471

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54706358) is N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RLKWOSJLRIJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-8-5-6-12(10(18)7-8)20-16(23)13-14(21)9-3-1-2-4-11(9)19-15(13)22/h5-7H,1-4H2,(H,20,23)(H2,19,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54706358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).