2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen

C110H105F8N15O7 — CID 159444540

IUPAC2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
SMILESC.C.COc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H26N4O2.C28H23N3O.C26H23F3N4O2.C25H19F5N4O2.2CH4.3H2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23;1-20-17-23(18-21-11-5-2-6-12-21)30-28-27(20)25(32)19-26(29-22-13-7-3-8-14-22)31(28)24-15-9-4-10-16-24;1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;;;;;/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;2*1H4;3*1H/t;;15-,16+;;;;;;
InChIKeyLSPHQPBPINOYKI-TVYKDXOASA-N
MW1901.13 g/mol
LogP24.52
Rot. Bonds20

About 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen

2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen (PubChem CID 159444540) has the molecular formula C110H105F8N15O7 and a molecular weight of 1901.13 g/mol. Its IUPAC name is 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen.

Molecular Properties

Compound Name2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
PubChem CID159444540
Molecular FormulaC110H105F8N15O7
Molecular Weight1901.13 g/mol
Exact Mass1899.82
IUPAC Name2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
SMILESC.C.COc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H26N4O2.C28H23N3O.C26H23F3N4O2.C25H19F5N4O2.2CH4.3H2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23;1-20-17-23(18-21-11-5-2-6-12-21)30-28-27(20)25(32)19-26(29-22-13-7-3-8-14-22)31(28)24-15-9-4-10-16-24;1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;;;;;/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;2*1H4;3*1H/t;;15-,16+;;;;;;
InChIKeyLSPHQPBPINOYKI-TVYKDXOASA-N
XLogP24.52
TPSA233.88 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001901.13
LogP ≤ 524.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The IUPAC name of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen (CID 159444540) is 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen.
What is the SMILES notation for 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The canonical SMILES for 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen is C.C.COc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].
What is the InChIKey of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
The InChIKey is LSPHQPBPINOYKI-TVYKDXOASA-N. The full InChI is InChI=1S/C29H26N4O2.C28H23N3O.C26H23F3N4O2.C25H19F5N4O2.2CH4.3H2/c1-20-17-26(30-19-21-13-15-24(35-2)16-14-21)32-29-28(20)25(34)18-27(31-22-9-5-3-6-10-22)33(29)23-11-7-4-8-12-23;1-20-17-23(18-21-11-5-2-6-12-21)30-28-27(20)25(32)19-26(29-22-13-7-3-8-14-22)31(28)24-15-9-4-10-16-24;1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;;;;;/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;2*1H4;3*1H/t;;15-,16+;;;;;;.
What are the key properties of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen?
2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen has a molecular weight of 1901.13 g/mol, XLogP of 24.52, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen is sourced from PubChem (CID 159444540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).