2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane

C54H46ClF5N8O2 — CID 143113436

IUPAC2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane
SMILESCC.Cc1cc(Cl)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C31H26F3N5O.C21H14ClF2N3O.C2H6/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24;1-12-8-17(22)20-18(28)11-19(26-15-6-2-4-13(23)9-15)27(21(20)25-12)16-7-3-5-14(24)10-16;1-2/h1-15,20-21,35H,16-19H2;2-11,26H,1H3;1-2H3
InChIKeyXRTZCWORXQPJMK-UHFFFAOYSA-N
MW969.46 g/mol
LogP12.87
Rot. Bonds8

About 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane

2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane (PubChem CID 143113436) has the molecular formula C54H46ClF5N8O2 and a molecular weight of 969.46 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane
PubChem CID143113436
Molecular FormulaC54H46ClF5N8O2
Molecular Weight969.46 g/mol
Exact Mass968.34
IUPAC Name2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane
SMILESCC.Cc1cc(Cl)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C31H26F3N5O.C21H14ClF2N3O.C2H6/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24;1-12-8-17(22)20-18(28)11-19(26-15-6-2-4-13(23)9-15)27(21(20)25-12)16-7-3-5-14(24)10-16;1-2/h1-15,20-21,35H,16-19H2;2-11,26H,1H3;1-2H3
InChIKeyXRTZCWORXQPJMK-UHFFFAOYSA-N
XLogP12.87
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.46
LogP ≤ 512.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane with MolForge

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Related Compounds

2-Anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790489
2-Anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790677
2-Anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790701
2-Anilino-7-[(benzylamino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790711
2-Anilino-7-[(cyclohexylamino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790726
2-Anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790740
2-anilino-7-[(N-methylanilino)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790864
4-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenylpiperazine-1-carboxamide
CID 20791016
5-Chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one
CID 20791031
N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide
CID 20791218
7-anilino-4-chloro-3-fluoro-5-oxo-8-phenyl-N,N-di(propan-2-yl)-1,8-naphthyridine-2-carboxamide
CID 21948153
N-(7-chloro-5-methyl-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridin-2-yl)-N'-(4-fluorophenyl)-N-phenylurea
CID 21948172

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane?
The IUPAC name of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane (CID 143113436) is 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane.
What is the SMILES notation for 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane?
The canonical SMILES for 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane is CC.Cc1cc(Cl)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane?
The InChIKey is XRTZCWORXQPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N5O.C21H14ClF2N3O.C2H6/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24;1-12-8-17(22)20-18(28)11-19(26-15-6-2-4-13(23)9-15)27(21(20)25-12)16-7-3-5-14(24)10-16;1-2/h1-15,20-21,35H,16-19H2;2-11,26H,1H3;1-2H3.
What are the key properties of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane?
2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane has a molecular weight of 969.46 g/mol, XLogP of 12.87, 8 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-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one;5-chloro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4-one;ethane is sourced from PubChem (CID 143113436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).