[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol

C19H17F3N2O2 — CID 168905566

IUPAC[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol
SMILESCNCc1cc(-c2ccc(OC(F)(F)F)cc2)c2cccnc2c1CO
InChIInChI=1S/C19H17F3N2O2/c1-23-10-13-9-16(15-3-2-8-24-18(15)17(13)11-25)12-4-6-14(7-5-12)26-19(20,21)22/h2-9,23,25H,10-11H2,1H3
InChIKeyCXIFVRCYFFGDAB-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.01
Rot. Bonds5

About [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol

[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol (PubChem CID 168905566) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol.

Molecular Properties

Compound Name[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol
PubChem CID168905566
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol
SMILESCNCc1cc(-c2ccc(OC(F)(F)F)cc2)c2cccnc2c1CO
InChIInChI=1S/C19H17F3N2O2/c1-23-10-13-9-16(15-3-2-8-24-18(15)17(13)11-25)12-4-6-14(7-5-12)26-19(20,21)22/h2-9,23,25H,10-11H2,1H3
InChIKeyCXIFVRCYFFGDAB-UHFFFAOYSA-N
XLogP4.01
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(methylaminomethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-4-yl]methanol
CID 168825747
tert-butyl N-[[8-(1,2-dihydroxyethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-7-yl]methyl]carbamate
CID 168825312
tert-butyl N-[[5-ethenyl-8-[4-(trifluoromethoxy)phenyl]quinolin-6-yl]methyl]carbamate
CID 168825420
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
2-ethyl-N,6-dimethyl-3-(methylaminomethyl)-N-[(E)-2-methylbut-1-enyl]-5-[4-(trifluoromethoxy)phenyl]aniline
CID 168905512
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 66478855
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
tert-butyl N-[[5-ethenyl-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]carbamate
CID 168825643
N-[[5-(1-hydroxyethyl)-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]prop-2-enamide
CID 168825296
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484

Frequently Asked Questions

What is the IUPAC name of [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol?
The IUPAC name of [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol (CID 168905566) is [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol.
What is the SMILES notation for [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol?
The canonical SMILES for [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol is CNCc1cc(-c2ccc(OC(F)(F)F)cc2)c2cccnc2c1CO.
What is the InChIKey of [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol?
The InChIKey is CXIFVRCYFFGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-23-10-13-9-16(15-3-2-8-24-18(15)17(13)11-25)12-4-6-14(7-5-12)26-19(20,21)22/h2-9,23,25H,10-11H2,1H3.
What are the key properties of [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol?
[7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol has a molecular weight of 362.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methylaminomethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-8-yl]methanol is sourced from PubChem (CID 168905566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).