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;molecular hydrogen

C99H88F16N14O8 — CID 160596282

IUPAC2-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;molecular hydrogen
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2.C24H20F3N3O2.4H2/c1-15-13-32(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;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;;;;/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3;3-15,28H,1-2H3;4*1H/t15-,16+;;;;;;;
InChIKeyRDRGIKDIQZHEPW-NCMFPMLUSA-N
MW1905.85 g/mol
LogP23.56
Rot. Bonds18

About 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;molecular hydrogen

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;molecular hydrogen (PubChem CID 160596282) has the molecular formula C99H88F16N14O8 and a molecular weight of 1905.85 g/mol. Its IUPAC name is 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;molecular hydrogen.

Molecular Properties

Compound Name2-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;molecular hydrogen
PubChem CID160596282
Molecular FormulaC99H88F16N14O8
Molecular Weight1905.85 g/mol
Exact Mass1904.67
IUPAC Name2-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;molecular hydrogen
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2.C24H20F3N3O2.4H2/c1-15-13-32(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;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;;;;/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3;3-15,28H,1-2H3;4*1H/t15-,16+;;;;;;;
InChIKeyRDRGIKDIQZHEPW-NCMFPMLUSA-N
XLogP23.56
TPSA231.08 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.85
LogP ≤ 523.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 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;molecular hydrogen with MolForge

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Related Compounds

2-Anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10138084
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10299182
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790383
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide
CID 20790463
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide
CID 20790464
2-Anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790475
2-Anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790477
2-Anilino-7-(2-morpholin-4-yl-2-oxoethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790648
7-Ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20791122
2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene
CID 142224658
2-Anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 142224998
(Z)-3-anilino-3-(N-(3,6-dimethyl-4-propan-2-yloxy-2-pyridinyl)anilino)prop-2-enal;2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane
CID 142225380

Frequently Asked Questions

What is the IUPAC name of 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;molecular hydrogen?
The IUPAC name of 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;molecular hydrogen (CID 160596282) is 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;molecular hydrogen.
What is the SMILES notation for 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;molecular hydrogen?
The canonical SMILES for 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;molecular hydrogen is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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;molecular hydrogen?
The InChIKey is RDRGIKDIQZHEPW-NCMFPMLUSA-N. The full InChI is InChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2.C24H20F3N3O2.4H2/c1-15-13-32(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;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;;;;/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3;3-15,28H,1-2H3;4*1H/t15-,16+;;;;;;;.
What are the key properties of 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;molecular hydrogen?
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;molecular hydrogen has a molecular weight of 1905.85 g/mol, XLogP of 23.56, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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;molecular hydrogen is sourced from PubChem (CID 160596282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).