1-(7-chloroquinolin-4-yl)azepan-3-amine

C15H18ClN3 — CID 70760365

IUPAC1-(7-chloroquinolin-4-yl)azepan-3-amine
SMILESNC1CCCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H18ClN3/c16-11-4-5-13-14(9-11)18-7-6-15(13)19-8-2-1-3-12(17)10-19/h4-7,9,12H,1-3,8,10,17H2
InChIKeyJJHHCGLNAWZMIT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.21
Rot. Bonds1

About 1-(7-chloroquinolin-4-yl)azepan-3-amine

1-(7-chloroquinolin-4-yl)azepan-3-amine (PubChem CID 70760365) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)azepan-3-amine.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)azepan-3-amine
PubChem CID70760365
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-(7-chloroquinolin-4-yl)azepan-3-amine
SMILESNC1CCCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H18ClN3/c16-11-4-5-13-14(9-11)18-7-6-15(13)19-8-2-1-3-12(17)10-19/h4-7,9,12H,1-3,8,10,17H2
InChIKeyJJHHCGLNAWZMIT-UHFFFAOYSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)azepan-3-amine?
The IUPAC name of 1-(7-chloroquinolin-4-yl)azepan-3-amine (CID 70760365) is 1-(7-chloroquinolin-4-yl)azepan-3-amine.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)azepan-3-amine?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)azepan-3-amine is NC1CCCCN(c2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)azepan-3-amine?
The InChIKey is JJHHCGLNAWZMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-11-4-5-13-14(9-11)18-7-6-15(13)19-8-2-1-3-12(17)10-19/h4-7,9,12H,1-3,8,10,17H2.
What are the key properties of 1-(7-chloroquinolin-4-yl)azepan-3-amine?
1-(7-chloroquinolin-4-yl)azepan-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)azepan-3-amine is sourced from PubChem (CID 70760365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).