(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C18H16F3NO2 — CID 31840032

IUPAC(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C18H16F3NO2/c1-24-15-6-2-4-13(11-15)17(23)22-9-3-5-12-10-14(18(19,20)21)7-8-16(12)22/h2,4,6-8,10-11H,3,5,9H2,1H3
InChIKeyFKPRIVVQGAHMRF-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.31
Rot. Bonds2

About (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 31840032) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID31840032
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C18H16F3NO2/c1-24-15-6-2-4-13(11-15)17(23)22-9-3-5-12-10-14(18(19,20)21)7-8-16(12)22/h2,4,6-8,10-11H,3,5,9H2,1H3
InChIKeyFKPRIVVQGAHMRF-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31845243
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55670463
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 31840032) is (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is COc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is FKPRIVVQGAHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-24-15-6-2-4-13(11-15)17(23)22-9-3-5-12-10-14(18(19,20)21)7-8-16(12)22/h2,4,6-8,10-11H,3,5,9H2,1H3.
What are the key properties of (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 31840032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).