N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline

C23H16ClF3N2O — CID 177312697

IUPACN-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccc(C(Nc2ccccc2)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C23H16ClF3N2O/c24-19-8-4-5-15-11-14-20(29-21(15)19)22(28-17-6-2-1-3-7-17)16-9-12-18(13-10-16)30-23(25,26)27/h1-14,22,28H
InChIKeyRXCMVUGRVHNOKY-UHFFFAOYSA-N
MW428.84 g/mol
LogP6.99
Rot. Bonds5

About N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline

N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 177312697) has the molecular formula C23H16ClF3N2O and a molecular weight of 428.84 g/mol. Its IUPAC name is N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID177312697
Molecular FormulaC23H16ClF3N2O
Molecular Weight428.84 g/mol
Exact Mass428.09
IUPAC NameN-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccc(C(Nc2ccccc2)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C23H16ClF3N2O/c24-19-8-4-5-15-11-14-20(29-21(15)19)22(28-17-6-2-1-3-7-17)16-9-12-18(13-10-16)30-23(25,26)27/h1-14,22,28H
InChIKeyRXCMVUGRVHNOKY-UHFFFAOYSA-N
XLogP6.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
CID 177312715
[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177312661
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 177312599
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 92693156
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 115827761
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
trifluoromethoxybenzene
CID 157402708

Frequently Asked Questions

What is the IUPAC name of N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline (CID 177312697) is N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline is FC(F)(F)Oc1ccc(C(Nc2ccccc2)c2ccc3cccc(Cl)c3n2)cc1.
What is the InChIKey of N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is RXCMVUGRVHNOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O/c24-19-8-4-5-15-11-14-20(29-21(15)19)22(28-17-6-2-1-3-7-17)16-9-12-18(13-10-16)30-23(25,26)27/h1-14,22,28H.
What are the key properties of N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline?
N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 428.84 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 177312697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).