N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine

C17H12ClF3N2O — CID 90292040

IUPACN-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
SMILESCc1cccc2ccc(Nc3ccc(OC(F)(F)F)c(Cl)c3)nc12
InChIInChI=1S/C17H12ClF3N2O/c1-10-3-2-4-11-5-8-15(23-16(10)11)22-12-6-7-14(13(18)9-12)24-17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyKNPIUPLKSZRJMJ-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.84
Rot. Bonds3

About N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine

N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine (PubChem CID 90292040) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
PubChem CID90292040
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC NameN-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
SMILESCc1cccc2ccc(Nc3ccc(OC(F)(F)F)c(Cl)c3)nc12
InChIInChI=1S/C17H12ClF3N2O/c1-10-3-2-4-11-5-8-15(23-16(10)11)22-12-6-7-14(13(18)9-12)24-17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyKNPIUPLKSZRJMJ-UHFFFAOYSA-N
XLogP5.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659
8-chloro-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylquinoline-2,5-diamine
CID 57378071
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 66556058
3-chloro-N-ethyl-4-(trifluoromethoxy)aniline;hydrochloride
CID 142726739
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
CID 107335763
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]pyrimidine-2,4,6-triamine
CID 139976821

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine?
The IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine (CID 90292040) is N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine?
The canonical SMILES for N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine is Cc1cccc2ccc(Nc3ccc(OC(F)(F)F)c(Cl)c3)nc12.
What is the InChIKey of N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine?
The InChIKey is KNPIUPLKSZRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c1-10-3-2-4-11-5-8-15(23-16(10)11)22-12-6-7-14(13(18)9-12)24-17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine?
N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine has a molecular weight of 352.74 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine is sourced from PubChem (CID 90292040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).