2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

C123H103F3N16O8 — CID 157458900

IUPAC2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.COc1cccc(Nc2cc(=O)c3ccc(C)nc3n2-c2ccccc2)c1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc2c(=O)cc(Nc3cccc(F)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C29H26N4O2.C28H23N3O.C23H19F2N3O2.C22H19N3O2.C21H16FN3O/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;1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17;1-15-11-12-19-20(26)14-21(24-16-7-6-10-18(13-16)27-2)25(22(19)23-15)17-8-4-3-5-9-17;1-14-10-11-18-19(26)13-20(24-16-7-5-6-15(22)12-16)25(21(18)23-14)17-8-3-2-4-9-17/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;2-13,20,27H,14H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3
InChIKeyBTRNXHZKCZNTBY-UHFFFAOYSA-N
MW1990.27 g/mol
LogP26.19
Rot. Bonds25

About 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 157458900) has the molecular formula C123H103F3N16O8 and a molecular weight of 1990.27 g/mol. Its IUPAC name is 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID157458900
Molecular FormulaC123H103F3N16O8
Molecular Weight1990.27 g/mol
Exact Mass1988.81
IUPAC Name2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.COc1cccc(Nc2cc(=O)c3ccc(C)nc3n2-c2ccccc2)c1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc2c(=O)cc(Nc3cccc(F)c3)n(-c3ccccc3)c2n1
InChIInChI=1S/C29H26N4O2.C28H23N3O.C23H19F2N3O2.C22H19N3O2.C21H16FN3O/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;1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17;1-15-11-12-19-20(26)14-21(24-16-7-6-10-18(13-16)27-2)25(22(19)23-15)17-8-4-3-5-9-17;1-14-10-11-18-19(26)13-20(24-16-7-5-6-15(22)12-16)25(21(18)23-14)17-8-3-2-4-9-17/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;2-13,20,27H,14H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3
InChIKeyBTRNXHZKCZNTBY-UHFFFAOYSA-N
XLogP26.19
TPSA274.32 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.27
LogP ≤ 526.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
2-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]-N-[8-[3-(2-morpholin-4-ylethoxy)anilino]-1-oxo-6-(2,2,2-trifluoroethylamino)-2,7-naphthyridin-2-yl]acetamide
CID 140192867
2-anilino-1-cyclohepta-1,3,6-trien-1-yl-7-methyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;(Z)-1-anilino-1-(N-[6-(2-methoxyethoxy)-4-(trifluoromethyl)-2-pyridinyl]anilino)pent-1-en-3-one;ethane
CID 142224812
2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane
CID 142225527
2-Anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane
CID 143113457
2-Anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one;methane
CID 157696579
2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;molecular hydrogen
CID 158131743
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 158203912
7-(3-Acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 159215185
2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-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;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 159303004
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
[6-[(2-aminocyclohexyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-amino-2-phenylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)methanone;molecular hydrogen
CID 159521873

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 157458900) is 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is COc1ccc(CNc2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)cc1.COc1cccc(Nc2cc(=O)c3ccc(C)nc3n2-c2ccccc2)c1.Cc1cc(Cc2ccccc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc2c(=O)cc(Nc3cccc(F)c3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is BTRNXHZKCZNTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.C28H23N3O.C23H19F2N3O2.C22H19N3O2.C21H16FN3O/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;1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17;1-15-11-12-19-20(26)14-21(24-16-7-6-10-18(13-16)27-2)25(22(19)23-15)17-8-4-3-5-9-17;1-14-10-11-18-19(26)13-20(24-16-7-5-6-15(22)12-16)25(21(18)23-14)17-8-3-2-4-9-17/h3-18,31H,19H2,1-2H3,(H,30,32);2-17,19,29H,18H2,1H3;2-13,20,27H,14H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3.
What are the key properties of 2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-7-benzyl-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 1990.27 g/mol, XLogP of 26.19, 25 rotatable bonds, 6 hydrogen bond donors, and 24 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-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-(3-methoxyanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 157458900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).