4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine

C42H28F4N4O — CID 68899640

IUPAC4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
SMILESCOc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C21H14F2N2O.C21H14F2N2/c1-26-19-5-3-2-4-17(19)21-20-16(9-11-25-21)14(8-10-24-20)15-7-6-13(22)12-18(15)23;1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3;2-12H,1H3
InChIKeyCAANOJNDPHLVAR-UHFFFAOYSA-N
MW680.71 g/mol
LogP10.80
Rot. Bonds5

About 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine

4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine (PubChem CID 68899640) has the molecular formula C42H28F4N4O and a molecular weight of 680.71 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
PubChem CID68899640
Molecular FormulaC42H28F4N4O
Molecular Weight680.71 g/mol
Exact Mass680.22
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
SMILESCOc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C21H14F2N2O.C21H14F2N2/c1-26-19-5-3-2-4-17(19)21-20-16(9-11-25-21)14(8-10-24-20)15-7-6-13(22)12-18(15)23;1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3;2-12H,1H3
InChIKeyCAANOJNDPHLVAR-UHFFFAOYSA-N
XLogP10.80
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.71
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
5-(4-fluoro-2-methoxyphenyl)-1,6-naphthyridine
CID 162630412
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium;4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 87616358
4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
CID 10754354
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270610
2-(4-fluoro-2-methoxyphenyl)-7-methylcyclohepta-2,4,6-trien-1-one
CID 118330524
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine (CID 68899640) is 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine is COc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The InChIKey is CAANOJNDPHLVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O.C21H14F2N2/c1-26-19-5-3-2-4-17(19)21-20-16(9-11-25-21)14(8-10-24-20)15-7-6-13(22)12-18(15)23;1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3;2-12H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine has a molecular weight of 680.71 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-1,7-naphthyridine;4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine is sourced from PubChem (CID 68899640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).