1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine

C22H19F3N2 — CID 91394092

IUPAC1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine
SMILESFC(F)(F)c1ccc(C2=NCCC3=CC=CN(Cc4ccccc4)C32)cc1
InChIInChI=1S/C22H19F3N2/c23-22(24,25)19-10-8-17(9-11-19)20-21-18(12-13-26-20)7-4-14-27(21)15-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2
InChIKeyFMEZBHDCIQPDMT-UHFFFAOYSA-N
MW368.40 g/mol
LogP5.22
Rot. Bonds3

About 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine

1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine (PubChem CID 91394092) has the molecular formula C22H19F3N2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine
PubChem CID91394092
Molecular FormulaC22H19F3N2
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC Name1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine
SMILESFC(F)(F)c1ccc(C2=NCCC3=CC=CN(Cc4ccccc4)C32)cc1
InChIInChI=1S/C22H19F3N2/c23-22(24,25)19-10-8-17(9-11-19)20-21-18(12-13-26-20)7-4-14-27(21)15-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2
InChIKeyFMEZBHDCIQPDMT-UHFFFAOYSA-N
XLogP5.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine (CID 91394092) is 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine is FC(F)(F)c1ccc(C2=NCCC3=CC=CN(Cc4ccccc4)C32)cc1.
What is the InChIKey of 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine?
The InChIKey is FMEZBHDCIQPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2/c23-22(24,25)19-10-8-17(9-11-19)20-21-18(12-13-26-20)7-4-14-27(21)15-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2.
What are the key properties of 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine?
1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine has a molecular weight of 368.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[4-(trifluoromethyl)phenyl]-6,8a-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 91394092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).