7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione

C28H21F3N2O2 — CID 155931895

IUPAC7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(C(F)(F)F)cc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C28H21F3N2O2/c1-18-16-24-26(27(35)32(18)21-8-4-2-5-9-21)23(19-12-14-20(15-13-19)28(29,30)31)17-25(34)33(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3
InChIKeyTZHRDXSFENZQDQ-UHFFFAOYSA-N
MW474.48 g/mol
LogP6.37
Rot. Bonds3

About 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione

7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione (PubChem CID 155931895) has the molecular formula C28H21F3N2O2 and a molecular weight of 474.48 g/mol. Its IUPAC name is 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione
PubChem CID155931895
Molecular FormulaC28H21F3N2O2
Molecular Weight474.48 g/mol
Exact Mass474.16
IUPAC Name7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(C(F)(F)F)cc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C28H21F3N2O2/c1-18-16-24-26(27(35)32(18)21-8-4-2-5-9-21)23(19-12-14-20(15-13-19)28(29,30)31)17-25(34)33(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3
InChIKeyTZHRDXSFENZQDQ-UHFFFAOYSA-N
XLogP6.37
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione with MolForge

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Related Compounds

1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 4043316
2,6-Dimethyl-N(3),N(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 358533
1,4-Diphenyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
CID 657502
1-(4-Fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3517975
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
2-(2-fluoro[1,1'-biphenyl]-4-yl)-N-phenylpropanamide
CID 11841732
4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 366928
4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-fluorophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2834110
4-Phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 42628284
4-[4-[2,6-dimethyl-3,5-bis(o-tolylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 365837
4,4'-{[4-(trifluoromethyl)phenyl]methylene}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
CID 2884163
4-[4-(Dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2901876

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione (CID 155931895) is 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione is Cc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(C(F)(F)F)cc1)CC(=O)N2c1ccccc1.
What is the InChIKey of 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The InChIKey is TZHRDXSFENZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O2/c1-18-16-24-26(27(35)32(18)21-8-4-2-5-9-21)23(19-12-14-20(15-13-19)28(29,30)31)17-25(34)33(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3.
What are the key properties of 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione?
7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione has a molecular weight of 474.48 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 155931895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).