7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride

C16H11Cl2F3N2 — CID 171931176

IUPAC7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H10ClF3N2.ClH/c17-11-3-6-13-14(7-8-21-15(13)9-11)22-12-4-1-10(2-5-12)16(18,19)20;/h1-9H,(H,21,22);1H
InChIKeyZTFUWNGFCKIWLT-UHFFFAOYSA-N
MW359.18 g/mol
LogP6.07
Rot. Bonds2

About 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride

7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride (PubChem CID 171931176) has the molecular formula C16H11Cl2F3N2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
PubChem CID171931176
Molecular FormulaC16H11Cl2F3N2
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H10ClF3N2.ClH/c17-11-3-6-13-14(7-8-21-15(13)9-11)22-12-4-1-10(2-5-12)16(18,19)20;/h1-9H,(H,21,22);1H
InChIKeyZTFUWNGFCKIWLT-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.18
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 86578782
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
methyl 2-[2-[(7-chloroquinolin-4-yl)amino]-4-(trifluoromethyl)phenyl]acetate
CID 157172040
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride (CID 171931176) is 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride is Cl.FC(F)(F)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride?
The InChIKey is ZTFUWNGFCKIWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2.ClH/c17-11-3-6-13-14(7-8-21-15(13)9-11)22-12-4-1-10(2-5-12)16(18,19)20;/h1-9H,(H,21,22);1H.
What are the key properties of 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride?
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride has a molecular weight of 359.18 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 171931176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).