5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine

C18H25ClN2S — CID 24881540

IUPAC5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCCCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2S/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyYXXXPEPIYSSHJU-UHFFFAOYSA-N
MW336.93 g/mol
LogP5.49
Rot. Bonds9

About 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine

5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine (PubChem CID 24881540) has the molecular formula C18H25ClN2S and a molecular weight of 336.93 g/mol. Its IUPAC name is 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine.

Molecular Properties

Compound Name5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine
PubChem CID24881540
Molecular FormulaC18H25ClN2S
Molecular Weight336.93 g/mol
Exact Mass336.14
IUPAC Name5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCCCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2S/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyYXXXPEPIYSSHJU-UHFFFAOYSA-N
XLogP5.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.93
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chloroquine
CID 2719
4,7-Dichloroquinoline
CID 6866
(+-)-Desethylchloroquine
CID 95478
Sontoquine
CID 66553
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627
(-)-Chloroquine
CID 444810
(+)-Chloroquine
CID 639540
4-(2-Methyl-1-pyrrolidyl)-7-chloroquinoline
CID 95382
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
7-Chloroquinoline
CID 521963
2-[(7-Chloro-4-quinolinyl)sulfanyl]acetic acid
CID 224672
Desmethylchloroquine
CID 3811576

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine?
The IUPAC name of 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine (CID 24881540) is 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine.
What is the SMILES notation for 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine?
The canonical SMILES for 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine is CCN(CC)CCCCCSc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine?
The InChIKey is YXXXPEPIYSSHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2S/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine?
5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine has a molecular weight of 336.93 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylpentan-1-amine is sourced from PubChem (CID 24881540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).