8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide

C67H55F2N7O5S — CID 87617123

IUPAC8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide
SMILESCOc1ccccc1-c1ccnc2c(-c3c(C)cccc3C)nccc12.COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)nccc12.COc1ccccc1-c1ccnc2c(-c3ccc(NS(C)(=O)=O)cc3C)nccc12
InChIInChI=1S/C23H21N3O3S.C23H20N2O.C21H14F2N2O/c1-15-14-16(26-30(3,27)28)8-9-17(15)22-23-20(11-13-24-22)18(10-12-25-23)19-6-4-5-7-21(19)29-2;1-15-7-6-8-16(2)21(15)23-22-19(12-14-25-23)17(11-13-24-22)18-9-4-5-10-20(18)26-3;1-26-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25-21(20)19-16(22)6-4-7-17(19)23/h4-14,26H,1-3H3;4-14H,1-3H3;2-12H,1H3
InChIKeyXWMIUSXCNVNWNJ-UHFFFAOYSA-N
MW1108.28 g/mol
LogP15.49
Rot. Bonds11

About 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide

8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide (PubChem CID 87617123) has the molecular formula C67H55F2N7O5S and a molecular weight of 1108.28 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide
PubChem CID87617123
Molecular FormulaC67H55F2N7O5S
Molecular Weight1108.28 g/mol
Exact Mass1107.40
IUPAC Name8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide
SMILESCOc1ccccc1-c1ccnc2c(-c3c(C)cccc3C)nccc12.COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)nccc12.COc1ccccc1-c1ccnc2c(-c3ccc(NS(C)(=O)=O)cc3C)nccc12
InChIInChI=1S/C23H21N3O3S.C23H20N2O.C21H14F2N2O/c1-15-14-16(26-30(3,27)28)8-9-17(15)22-23-20(11-13-24-22)18(10-12-25-23)19-6-4-5-7-21(19)29-2;1-15-7-6-8-16(2)21(15)23-22-19(12-14-25-23)17(11-13-24-22)18-9-4-5-10-20(18)26-3;1-26-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25-21(20)19-16(22)6-4-7-17(19)23/h4-14,26H,1-3H3;4-14H,1-3H3;2-12H,1H3
InChIKeyXWMIUSXCNVNWNJ-UHFFFAOYSA-N
XLogP15.49
TPSA151.20 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001108.28
LogP ≤ 515.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide (CID 87617123) is 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide is COc1ccccc1-c1ccnc2c(-c3c(C)cccc3C)nccc12.COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)nccc12.COc1ccccc1-c1ccnc2c(-c3ccc(NS(C)(=O)=O)cc3C)nccc12.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide?
The InChIKey is XWMIUSXCNVNWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S.C23H20N2O.C21H14F2N2O/c1-15-14-16(26-30(3,27)28)8-9-17(15)22-23-20(11-13-24-22)18(10-12-25-23)19-6-4-5-7-21(19)29-2;1-15-7-6-8-16(2)21(15)23-22-19(12-14-25-23)17(11-13-24-22)18-9-4-5-10-20(18)26-3;1-26-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25-21(20)19-16(22)6-4-7-17(19)23/h4-14,26H,1-3H3;4-14H,1-3H3;2-12H,1H3.
What are the key properties of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide?
8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide has a molecular weight of 1108.28 g/mol, XLogP of 15.49, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;8-(2,6-dimethylphenyl)-4-(2-methoxyphenyl)-1,7-naphthyridine;N-[4-[4-(2-methoxyphenyl)-1,7-naphthyridin-8-yl]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 87617123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).