5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one

C19H16F3N3O — CID 170178079

IUPAC5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one
SMILESC/N=C1\NC(=O)C2(CCCc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16F3N3O/c1-23-16-12-8-9-14(19(20,21)22)24-15(12)18(17(26)25-16)10-4-6-11-5-2-3-7-13(11)18/h2-3,5,7-9H,4,6,10H2,1H3,(H,23,25,26)
InChIKeyUYQFYSOVILRLFD-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.23
Rot. Bonds

About 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one

5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one (PubChem CID 170178079) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one.

Molecular Properties

Compound Name5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one
PubChem CID170178079
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one
SMILESC/N=C1\NC(=O)C2(CCCc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16F3N3O/c1-23-16-12-8-9-14(19(20,21)22)24-15(12)18(17(26)25-16)10-4-6-11-5-2-3-7-13(11)18/h2-3,5,7-9H,4,6,10H2,1H3,(H,23,25,26)
InChIKeyUYQFYSOVILRLFD-UHFFFAOYSA-N
XLogP3.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one?
The IUPAC name of 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one (CID 170178079) is 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one.
What is the SMILES notation for 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one?
The canonical SMILES for 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one is C/N=C1\NC(=O)C2(CCCc3ccccc32)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one?
The InChIKey is UYQFYSOVILRLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-23-16-12-8-9-14(19(20,21)22)24-15(12)18(17(26)25-16)10-4-6-11-5-2-3-7-13(11)18/h2-3,5,7-9H,4,6,10H2,1H3,(H,23,25,26).
What are the key properties of 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one?
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one has a molecular weight of 359.35 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one is sourced from PubChem (CID 170178079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).