4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one

C16H12ClFN2O2 — CID 141108568

IUPAC4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)cc(Cl)c3cc(F)cnc32)cc1
InChIInChI=1S/C16H12ClFN2O2/c1-22-12-4-2-10(3-5-12)9-20-15(21)7-14(17)13-6-11(18)8-19-16(13)20/h2-8H,9H2,1H3
InChIKeyLPDCNALJTTZBNX-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one

4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 141108568) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID141108568
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)cc(Cl)c3cc(F)cnc32)cc1
InChIInChI=1S/C16H12ClFN2O2/c1-22-12-4-2-10(3-5-12)9-20-15(21)7-14(17)13-6-11(18)8-19-16(13)20/h2-8H,9H2,1H3
InChIKeyLPDCNALJTTZBNX-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one
CID 3233380
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
1-ethyl-3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116557
4-[(2,4-difluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 22050000
4-[(4-methoxyphenyl)methyl]-6-prop-1-en-2-ylpyrido[2,3-b]pyrazin-3-one
CID 143410992
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
CID 67993011
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one (CID 141108568) is 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one is COc1ccc(Cn2c(=O)cc(Cl)c3cc(F)cnc32)cc1.
What is the InChIKey of 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is LPDCNALJTTZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-22-12-4-2-10(3-5-12)9-20-15(21)7-14(17)13-6-11(18)8-19-16(13)20/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one?
4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 318.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 141108568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).