N-(azepan-4-yl)-8-chloroquinolin-5-amine

C15H18ClN3 — CID 103981370

IUPACN-(azepan-4-yl)-8-chloroquinolin-5-amine
SMILESClc1ccc(NC2CCCNCC2)c2cccnc12
InChIInChI=1S/C15H18ClN3/c16-13-5-6-14(12-4-2-9-18-15(12)13)19-11-3-1-8-17-10-7-11/h2,4-6,9,11,17,19H,1,3,7-8,10H2
InChIKeyQEQRZXFZLDBPMK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.44
Rot. Bonds2

About N-(azepan-4-yl)-8-chloroquinolin-5-amine

N-(azepan-4-yl)-8-chloroquinolin-5-amine (PubChem CID 103981370) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(azepan-4-yl)-8-chloroquinolin-5-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-8-chloroquinolin-5-amine
PubChem CID103981370
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-(azepan-4-yl)-8-chloroquinolin-5-amine
SMILESClc1ccc(NC2CCCNCC2)c2cccnc12
InChIInChI=1S/C15H18ClN3/c16-13-5-6-14(12-4-2-9-18-15(12)13)19-11-3-1-8-17-10-7-11/h2,4-6,9,11,17,19H,1,3,7-8,10H2
InChIKeyQEQRZXFZLDBPMK-UHFFFAOYSA-N
XLogP3.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
CID 63445839
5-(azepan-4-ylamino)naphthalen-1-ol
CID 103981451
N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
CID 103981032
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
N-pyridazin-3-ylazepan-4-amine
CID 107173783
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
CID 65083328
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-8-chloroquinolin-5-amine?
The IUPAC name of N-(azepan-4-yl)-8-chloroquinolin-5-amine (CID 103981370) is N-(azepan-4-yl)-8-chloroquinolin-5-amine.
What is the SMILES notation for N-(azepan-4-yl)-8-chloroquinolin-5-amine?
The canonical SMILES for N-(azepan-4-yl)-8-chloroquinolin-5-amine is Clc1ccc(NC2CCCNCC2)c2cccnc12.
What is the InChIKey of N-(azepan-4-yl)-8-chloroquinolin-5-amine?
The InChIKey is QEQRZXFZLDBPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-13-5-6-14(12-4-2-9-18-15(12)13)19-11-3-1-8-17-10-7-11/h2,4-6,9,11,17,19H,1,3,7-8,10H2.
What are the key properties of N-(azepan-4-yl)-8-chloroquinolin-5-amine?
N-(azepan-4-yl)-8-chloroquinolin-5-amine has a molecular weight of 275.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-8-chloroquinolin-5-amine is sourced from PubChem (CID 103981370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).