6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one

C20H15F3N2O — CID 175843934

IUPAC6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one
SMILESO=c1c2c(c3ccccc3n1Cc1ccc(C(F)(F)F)cc1)CC=NC2
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)14-7-5-13(6-8-14)12-25-18-4-2-1-3-16(18)15-9-10-24-11-17(15)19(25)26/h1-8,10H,9,11-12H2
InChIKeyJYEWWWRLXMPSFI-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.20
Rot. Bonds2

About 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one

6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one (PubChem CID 175843934) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one
PubChem CID175843934
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one
SMILESO=c1c2c(c3ccccc3n1Cc1ccc(C(F)(F)F)cc1)CC=NC2
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)14-7-5-13(6-8-14)12-25-18-4-2-1-3-16(18)15-9-10-24-11-17(15)19(25)26/h1-8,10H,9,11-12H2
InChIKeyJYEWWWRLXMPSFI-UHFFFAOYSA-N
XLogP4.20
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
CID 102259553
9-[[4-(trifluoromethyl)phenyl]methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
CID 46842129
5,11-bis[[4-(trifluoromethyl)phenyl]methyl]-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 87063251
1-[(4-aminophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-one;hydrochloride
CID 171925994
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 2744505
2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 21081944
(3-chloro-4-hydroxyphenyl)-[9-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 12069301
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
1-benzyl-2-[3,5-bis(trifluoromethyl)phenyl]-3-bromoindole
CID 162539599
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxobutylamino)-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 70056442
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42572847

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one (CID 175843934) is 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one is O=c1c2c(c3ccccc3n1Cc1ccc(C(F)(F)F)cc1)CC=NC2.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one?
The InChIKey is JYEWWWRLXMPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)14-7-5-13(6-8-14)12-25-18-4-2-1-3-16(18)15-9-10-24-11-17(15)19(25)26/h1-8,10H,9,11-12H2.
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one?
6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one has a molecular weight of 356.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dihydrobenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 175843934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).