2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine

C15H19ClN2S — CID 3768155

IUPAC2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2S/c1-3-18(4-2)9-10-19-15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCKKMSPRSSCZILT-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.32
Rot. Bonds6

About 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine

2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine (PubChem CID 3768155) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine
PubChem CID3768155
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine
SMILESCCN(CC)CCSc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2S/c1-3-18(4-2)9-10-19-15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCKKMSPRSSCZILT-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroquine
CID 2719
4,7-Dichloroquinoline
CID 6866
(-)-Chloroquine
CID 444810
Bisdesethylchloroquine
CID 122672
(+)-Chloroquine
CID 639540
4-(2-Methyl-1-pyrrolidyl)-7-chloroquinoline
CID 95382
Ro 41-3118
CID 408190
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627
5-Chloroquinoline
CID 69458
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
7-Chloroquinoline
CID 521963
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine?
The IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine (CID 3768155) is 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine is CCN(CC)CCSc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine?
The InChIKey is CKKMSPRSSCZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-3-18(4-2)9-10-19-15-7-8-17-14-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine?
2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine has a molecular weight of 294.85 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-4-yl)sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 3768155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).