7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine

C16H12ClFN2 — CID 9311270

IUPAC7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H12ClFN2/c17-12-3-6-14-15(7-8-19-16(14)9-12)20-10-11-1-4-13(18)5-2-11/h1-9H,10H2,(H,19,20)
InChIKeyWJCBBYWXTNMZCY-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.64
Rot. Bonds3

About 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine

7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine (PubChem CID 9311270) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine
PubChem CID9311270
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine
SMILESFc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H12ClFN2/c17-12-3-6-14-15(7-8-19-16(14)9-12)20-10-11-1-4-13(18)5-2-11/h1-9H,10H2,(H,19,20)
InChIKeyWJCBBYWXTNMZCY-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine
CID 3652
Piperaquine
CID 122262
(+-)-Desethylhydroxychloroquine
CID 71826
4,7-Dichloroquinoline
CID 6866
(+-)-Desethylchloroquine
CID 95478
Aminoquinol
CID 5708341
(+-)-Chloroquine diphosphate
CID 83818
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine (CID 9311270) is 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine is Fc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine?
The InChIKey is WJCBBYWXTNMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-12-3-6-14-15(7-8-19-16(14)9-12)20-10-11-1-4-13(18)5-2-11/h1-9H,10H2,(H,19,20).
What are the key properties of 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine?
7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine has a molecular weight of 286.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 9311270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).