4-(azepan-1-yl)-6-chloroquinoline

C15H17ClN2 — CID 110434360

IUPAC4-(azepan-1-yl)-6-chloroquinoline
SMILESClc1ccc2nccc(N3CCCCCC3)c2c1
InChIInChI=1S/C15H17ClN2/c16-12-5-6-14-13(11-12)15(7-8-17-14)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2
InChIKeyXQLFSDBUUHESRX-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.27
Rot. Bonds1

About 4-(azepan-1-yl)-6-chloroquinoline

4-(azepan-1-yl)-6-chloroquinoline (PubChem CID 110434360) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-chloroquinoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-chloroquinoline
PubChem CID110434360
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-(azepan-1-yl)-6-chloroquinoline
SMILESClc1ccc2nccc(N3CCCCCC3)c2c1
InChIInChI=1S/C15H17ClN2/c16-12-5-6-14-13(11-12)15(7-8-17-14)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2
InChIKeyXQLFSDBUUHESRX-UHFFFAOYSA-N
XLogP4.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
4-piperidin-1-ylquinolin-6-amine
CID 105484963
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133342671
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
CID 91938161
1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163315465
[1-(6-chloroquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384540

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-chloroquinoline?
The IUPAC name of 4-(azepan-1-yl)-6-chloroquinoline (CID 110434360) is 4-(azepan-1-yl)-6-chloroquinoline.
What is the SMILES notation for 4-(azepan-1-yl)-6-chloroquinoline?
The canonical SMILES for 4-(azepan-1-yl)-6-chloroquinoline is Clc1ccc2nccc(N3CCCCCC3)c2c1.
What is the InChIKey of 4-(azepan-1-yl)-6-chloroquinoline?
The InChIKey is XQLFSDBUUHESRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-12-5-6-14-13(11-12)15(7-8-17-14)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2.
What are the key properties of 4-(azepan-1-yl)-6-chloroquinoline?
4-(azepan-1-yl)-6-chloroquinoline has a molecular weight of 260.77 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-chloroquinoline is sourced from PubChem (CID 110434360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).