4-(azepan-1-yl)-8-chlorocinnoline

C14H16ClN3 — CID 20922961

IUPAC4-(azepan-1-yl)-8-chlorocinnoline
SMILESClc1cccc2c(N3CCCCCC3)cnnc12
InChIInChI=1S/C14H16ClN3/c15-12-7-5-6-11-13(10-16-17-14(11)12)18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9H2
InChIKeyNRZYLGLQIIYJHN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.66
Rot. Bonds1

About 4-(azepan-1-yl)-8-chlorocinnoline

4-(azepan-1-yl)-8-chlorocinnoline (PubChem CID 20922961) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-(azepan-1-yl)-8-chlorocinnoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-8-chlorocinnoline
PubChem CID20922961
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-(azepan-1-yl)-8-chlorocinnoline
SMILESClc1cccc2c(N3CCCCCC3)cnnc12
InChIInChI=1S/C14H16ClN3/c15-12-7-5-6-11-13(10-16-17-14(11)12)18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9H2
InChIKeyNRZYLGLQIIYJHN-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Piperidinyl)cinnoline
CID 12027113
8-Chloro-4-(4-(3-chlorophenyl)piperazin-1-yl)cinnoline
CID 20922966
8-Chloro-4-[4-(3,5-dichloro-4-fluorophenyl)piperazin-1-yl]cinnoline
CID 156552698
8-Chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline
CID 156552874
6-Chloro-4-piperidin-1-ylcinnoline
CID 52233024
8-Chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline
CID 20922976
3-Chloro-5-[4-(8-chlorocinnolin-4-yl)piperazin-1-yl]benzonitrile
CID 156552734
8-Chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline
CID 156552875
8-chloro-N-(2-methylpropyl)cinnolin-4-amine
CID 20873437
8-Chloro-4-(4-methylpiperidin-1-yl)cinnoline
CID 20922965
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
CID 20922967
4-(4-Benzylpiperazin-1-yl)-8-chlorocinnoline
CID 20922972

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-8-chlorocinnoline?
The IUPAC name of 4-(azepan-1-yl)-8-chlorocinnoline (CID 20922961) is 4-(azepan-1-yl)-8-chlorocinnoline.
What is the SMILES notation for 4-(azepan-1-yl)-8-chlorocinnoline?
The canonical SMILES for 4-(azepan-1-yl)-8-chlorocinnoline is Clc1cccc2c(N3CCCCCC3)cnnc12.
What is the InChIKey of 4-(azepan-1-yl)-8-chlorocinnoline?
The InChIKey is NRZYLGLQIIYJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-7-5-6-11-13(10-16-17-14(11)12)18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9H2.
What are the key properties of 4-(azepan-1-yl)-8-chlorocinnoline?
4-(azepan-1-yl)-8-chlorocinnoline has a molecular weight of 261.76 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-8-chlorocinnoline is sourced from PubChem (CID 20922961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).