4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one

C15H10F3N3O — CID 170678047

IUPAC4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2cc(NC(F)(F)F)ncc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)21-13-6-10-11(9-4-2-1-3-5-9)7-20-14(22)12(10)8-19-13/h1-8H,(H,19,21)(H,20,22)
InChIKeyGNFPVTSHVWXGTM-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.52
Rot. Bonds2

About 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one

4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 170678047) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one
PubChem CID170678047
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2cc(NC(F)(F)F)ncc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)21-13-6-10-11(9-4-2-1-3-5-9)7-20-14(22)12(10)8-19-13/h1-8H,(H,19,21)(H,20,22)
InChIKeyGNFPVTSHVWXGTM-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one
CID 170627291
6-bromo-4-phenyl-2H-isoquinolin-1-one
CID 155046719
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
4-(3,4,5-trifluorophenyl)-2H-isoquinolin-1-one
CID 71558225
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
3-(methoxymethyl)-5-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 121234326
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
CID 169241631
tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
CID 58524660
methyl 3-phenyl-1H-indole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 131731077

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one (CID 170678047) is 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(-c2ccccc2)c2cc(NC(F)(F)F)ncc12.
What is the InChIKey of 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is GNFPVTSHVWXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)21-13-6-10-11(9-4-2-1-3-5-9)7-20-14(22)12(10)8-19-13/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one?
4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 305.26 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(trifluoromethylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 170678047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).