3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one

C18H12F4N2O — CID 163211152

IUPAC3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one
SMILESC=C(C)c1cn(-c2ccccc2C(F)(F)F)c(=O)c2cc(F)cnc12
InChIInChI=1S/C18H12F4N2O/c1-10(2)13-9-24(15-6-4-3-5-14(15)18(20,21)22)17(25)12-7-11(19)8-23-16(12)13/h3-9H,1H2,2H3
InChIKeyBGJXBQFVGCLQQN-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.58
Rot. Bonds2

About 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one

3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one (PubChem CID 163211152) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one
PubChem CID163211152
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one
SMILESC=C(C)c1cn(-c2ccccc2C(F)(F)F)c(=O)c2cc(F)cnc12
InChIInChI=1S/C18H12F4N2O/c1-10(2)13-9-24(15-6-4-3-5-14(15)18(20,21)22)17(25)12-7-11(19)8-23-16(12)13/h3-9H,1H2,2H3
InChIKeyBGJXBQFVGCLQQN-UHFFFAOYSA-N
XLogP4.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5742213
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
VU0360172
CID 53318624
n-(2-Fluorophenyl)nicotinamide
CID 279880
3-Quinolinecarboxamide
CID 15561101
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 11248796
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one?
The IUPAC name of 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one (CID 163211152) is 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one is C=C(C)c1cn(-c2ccccc2C(F)(F)F)c(=O)c2cc(F)cnc12.
What is the InChIKey of 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one?
The InChIKey is BGJXBQFVGCLQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c1-10(2)13-9-24(15-6-4-3-5-14(15)18(20,21)22)17(25)12-7-11(19)8-23-16(12)13/h3-9H,1H2,2H3.
What are the key properties of 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one?
3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one has a molecular weight of 348.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 163211152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).