6-chloro-N-(2-phenylethyl)quinolin-4-amine

C17H15ClN2 — CID 110433237

IUPAC6-chloro-N-(2-phenylethyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15ClN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20)
InChIKeyJYHCJKVPQDMYAX-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.54
Rot. Bonds4

About 6-chloro-N-(2-phenylethyl)quinolin-4-amine

6-chloro-N-(2-phenylethyl)quinolin-4-amine (PubChem CID 110433237) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)quinolin-4-amine
PubChem CID110433237
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name6-chloro-N-(2-phenylethyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H15ClN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20)
InChIKeyJYHCJKVPQDMYAX-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-N-(2-phenylethyl)quinolin-4-amine (CID 110433237) is 6-chloro-N-(2-phenylethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)quinolin-4-amine is Clc1ccc2nccc(NCCc3ccccc3)c2c1.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)quinolin-4-amine?
The InChIKey is JYHCJKVPQDMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-14-6-7-16-15(12-14)17(9-11-20-16)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,19,20).
What are the key properties of 6-chloro-N-(2-phenylethyl)quinolin-4-amine?
6-chloro-N-(2-phenylethyl)quinolin-4-amine has a molecular weight of 282.77 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)quinolin-4-amine is sourced from PubChem (CID 110433237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).