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

C15H12ClNO2S — CID 10470384

IUPAC3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3sccc3Cl)cnc2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-13-6-9-5-10(15-11(16)3-4-20-15)8-17-12(9)7-14(13)19-2/h3-8H,1-2H3
InChIKeyKYBWLWWAINBJFX-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.63
Rot. Bonds3

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

3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline (PubChem CID 10470384) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
PubChem CID10470384
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3sccc3Cl)cnc2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-13-6-9-5-10(15-11(16)3-4-20-15)8-17-12(9)7-14(13)19-2/h3-8H,1-2H3
InChIKeyKYBWLWWAINBJFX-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline (CID 10470384) is 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline is COc1cc2cc(-c3sccc3Cl)cnc2cc1OC.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
The InChIKey is KYBWLWWAINBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-18-13-6-9-5-10(15-11(16)3-4-20-15)8-17-12(9)7-14(13)19-2/h3-8H,1-2H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline?
3-(3-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-(3-chlorothiophen-2-yl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10470384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).