2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C49H41F7N6O4 — CID 158692922

IUPAC2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc(Nc2cc(=O)c3c(C(F)(F)F)cc(OC(C)C)nc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H21F4N3O2.C24H20F3N3O2/c1-14(2)34-22-12-19(25(27,28)29)23-20(33)13-21(30-17-8-4-15(3)5-9-17)32(24(23)31-22)18-10-6-16(26)7-11-18;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/h4-14,30H,1-3H3;3-15,28H,1-2H3
InChIKeyIGORWMOAPBOBDG-UHFFFAOYSA-N
MW910.89 g/mol
LogP12.32
Rot. Bonds10

About 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 158692922) has the molecular formula C49H41F7N6O4 and a molecular weight of 910.89 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID158692922
Molecular FormulaC49H41F7N6O4
Molecular Weight910.89 g/mol
Exact Mass910.31
IUPAC Name2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc(Nc2cc(=O)c3c(C(F)(F)F)cc(OC(C)C)nc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H21F4N3O2.C24H20F3N3O2/c1-14(2)34-22-12-19(25(27,28)29)23-20(33)13-21(30-17-8-4-15(3)5-9-17)32(24(23)31-22)18-10-6-16(26)7-11-18;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/h4-14,30H,1-3H3;3-15,28H,1-2H3
InChIKeyIGORWMOAPBOBDG-UHFFFAOYSA-N
XLogP12.32
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.89
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one with MolForge

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Related Compounds

7-Ethoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10706862
N-(3,5-difluorophenyl)-7-(dimethylamino)-1-[4-methyl-3-[7-(1-methylpiperidin-1-ium-1-yl)heptoxy]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 164612001
N-(3,5-difluorophenyl)-7-(dimethylamino)-1-[4-[7-(1-ethylpiperidin-1-ium-1-yl)heptoxy]-2-fluorophenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 164622567
N-(3,5-difluorophenyl)-7-(dimethylamino)-1-[2-fluoro-4-[7-(1-methylpiperidin-1-ium-1-yl)heptoxy]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 164623905
2-Anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10114892
2-Anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one
CID 10115161
2-Anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10138084
2-Anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10202625
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10299182
2-anilino-7-[2-(2-oxo-1-pyrrolidinyl)ethoxy]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4(1H)-one
CID 11620416
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-(2-methoxyethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790381
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790383

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 158692922) is 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1ccc(Nc2cc(=O)c3c(C(F)(F)F)cc(OC(C)C)nc3n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is IGORWMOAPBOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O2.C24H20F3N3O2/c1-14(2)34-22-12-19(25(27,28)29)23-20(33)13-21(30-17-8-4-15(3)5-9-17)32(24(23)31-22)18-10-6-16(26)7-11-18;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/h4-14,30H,1-3H3;3-15,28H,1-2H3.
What are the key properties of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 910.89 g/mol, XLogP of 12.32, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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;1-(4-fluorophenyl)-2-(4-methylanilino)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 158692922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).