5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

C18H13ClF2N2O3 — CID 54697828

IUPAC5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1cc(F)ccc1F
InChIInChI=1S/C18H13ClF2N2O3/c1-22-12-5-3-4-10(19)14(12)16(24)15(17(22)25)18(26)23(2)13-8-9(20)6-7-11(13)21/h3-8,24H,1-2H3
InChIKeyFUDWAPGUYBYXQF-UHFFFAOYSA-N
MW378.76 g/mol
LogP3.45
Rot. Bonds2

About 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (PubChem CID 54697828) has the molecular formula C18H13ClF2N2O3 and a molecular weight of 378.76 g/mol. Its IUPAC name is 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
PubChem CID54697828
Molecular FormulaC18H13ClF2N2O3
Molecular Weight378.76 g/mol
Exact Mass378.06
IUPAC Name5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1cc(F)ccc1F
InChIInChI=1S/C18H13ClF2N2O3/c1-22-12-5-3-4-10(19)14(12)16(24)15(17(22)25)18(26)23(2)13-8-9(20)6-7-11(13)21/h3-8,24H,1-2H3
InChIKeyFUDWAPGUYBYXQF-UHFFFAOYSA-N
XLogP3.45
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (CID 54697828) is 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is CN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1cc(F)ccc1F.
What is the InChIKey of 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is FUDWAPGUYBYXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3/c1-22-12-5-3-4-10(19)14(12)16(24)15(17(22)25)18(26)23(2)13-8-9(20)6-7-11(13)21/h3-8,24H,1-2H3.
What are the key properties of 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 378.76 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54697828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).