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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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).