6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline

C17H22ClN3 — CID 133342671

IUPAC6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
SMILESCCCN1CCCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H22ClN3/c1-2-8-20-9-3-10-21(12-11-20)17-6-7-19-16-5-4-14(18)13-15(16)17/h4-7,13H,2-3,8-12H2,1H3
InChIKeyPLOFIQIWUSTYIT-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.81
Rot. Bonds3

About 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline

6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline (PubChem CID 133342671) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
PubChem CID133342671
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
SMILESCCCN1CCCN(c2ccnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H22ClN3/c1-2-8-20-9-3-10-21(12-11-20)17-6-7-19-16-5-4-14(18)13-15(16)17/h4-7,13H,2-3,8-12H2,1H3
InChIKeyPLOFIQIWUSTYIT-UHFFFAOYSA-N
XLogP3.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337609
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
CID 114843885
3-[5-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]pentoxy]-2,4-dimethyl-2H-thiophen-5-one
CID 54577598
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The IUPAC name of 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline (CID 133342671) is 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline is CCCN1CCCN(c2ccnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
The InChIKey is PLOFIQIWUSTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-8-20-9-3-10-21(12-11-20)17-6-7-19-16-5-4-14(18)13-15(16)17/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline?
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline has a molecular weight of 303.84 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 133342671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).