3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline

C15H12ClNO2S — CID 11779874

IUPAC3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(Cl)s3)cnc2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-12-6-9-5-10(14-3-4-15(16)20-14)8-17-11(9)7-13(12)19-2/h3-8H,1-2H3
InChIKeyWOSBNMWHFVPOIW-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.63
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline

3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline (PubChem CID 11779874) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
PubChem CID11779874
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(Cl)s3)cnc2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-12-6-9-5-10(14-3-4-15(16)20-14)8-17-11(9)7-13(12)19-2/h3-8H,1-2H3
InChIKeyWOSBNMWHFVPOIW-UHFFFAOYSA-N
XLogP4.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Rpr-101511
CID 9903563
6,7-Dimethoxy-3-((E)-styryl)-quinoline
CID 10017166
6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline
CID 10083695
3-Cyclopent-1-enyl-6,7-dimethoxy-quinoline
CID 10083699
7-Methoxy-3-thiophen-3-yl-quinoline
CID 10331922
6,7-Dimethoxy-3-phenyl-quinoline
CID 10422972
6,7-Dimethoxy-3-thiophen-2-yl-quinoline
CID 10468421
3-(3,4-Dichloro-phenyl)-6,7-dimethoxy-quinoline
CID 10065445
6,7-Dimethoxy-3-(5-methoxy-thiophen-2-yl)-quinoline
CID 9972089
6,7-Dimethoxy-3-thiophen-3-ylisoquinoline
CID 25058227
4-(6-Chloro-3-pyridinyl)-6,7-dimethoxycinnoline
CID 57399198

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline (CID 11779874) is 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline is COc1cc2cc(-c3ccc(Cl)s3)cnc2cc1OC.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The InChIKey is WOSBNMWHFVPOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-18-12-6-9-5-10(14-3-4-15(16)20-14)8-17-11(9)7-13(12)19-2/h3-8H,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline has a molecular weight of 305.79 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 11779874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).