1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one

C19H11ClF2N2O2S — CID 54736368

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESO=c1c(-c2ccc(F)cc2F)c(O)c2ncccc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C19H11ClF2N2O2S/c20-15-6-4-11(27-15)9-24-14-2-1-7-23-17(14)18(25)16(19(24)26)12-5-3-10(21)8-13(12)22/h1-8,25H,9H2
InChIKeyXOFUABGFZRSQNJ-UHFFFAOYSA-N
MW404.83 g/mol
LogP4.81
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one

1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one (PubChem CID 54736368) has the molecular formula C19H11ClF2N2O2S and a molecular weight of 404.83 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one
PubChem CID54736368
Molecular FormulaC19H11ClF2N2O2S
Molecular Weight404.83 g/mol
Exact Mass404.02
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESO=c1c(-c2ccc(F)cc2F)c(O)c2ncccc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C19H11ClF2N2O2S/c20-15-6-4-11(27-15)9-24-14-2-1-7-23-17(14)18(25)16(19(24)26)12-5-3-10(21)8-13(12)22/h1-8,25H,9H2
InChIKeyXOFUABGFZRSQNJ-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one (CID 54736368) is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one is O=c1c(-c2ccc(F)cc2F)c(O)c2ncccc2n1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one?
The InChIKey is XOFUABGFZRSQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O2S/c20-15-6-4-11(27-15)9-24-14-2-1-7-23-17(14)18(25)16(19(24)26)12-5-3-10(21)8-13(12)22/h1-8,25H,9H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one?
1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one has a molecular weight of 404.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2,4-difluorophenyl)-4-hydroxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 54736368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).