4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline

C20H14ClNO2S — CID 58658908

IUPAC4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline
SMILESCOc1ccc(Oc2cc(-c3cccs3)nc3ccccc23)cc1Cl
InChIInChI=1S/C20H14ClNO2S/c1-23-18-9-8-13(11-15(18)21)24-19-12-17(20-7-4-10-25-20)22-16-6-3-2-5-14(16)19/h2-12H,1H3
InChIKeyKPTFANAWNHPSEJ-UHFFFAOYSA-N
MW367.86 g/mol
LogP6.42
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline

4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline (PubChem CID 58658908) has the molecular formula C20H14ClNO2S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline
PubChem CID58658908
Molecular FormulaC20H14ClNO2S
Molecular Weight367.86 g/mol
Exact Mass367.04
IUPAC Name4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline
SMILESCOc1ccc(Oc2cc(-c3cccs3)nc3ccccc23)cc1Cl
InChIInChI=1S/C20H14ClNO2S/c1-23-18-9-8-13(11-15(18)21)24-19-12-17(20-7-4-10-25-20)22-16-6-3-2-5-14(16)19/h2-12H,1H3
InChIKeyKPTFANAWNHPSEJ-UHFFFAOYSA-N
XLogP6.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline?
The IUPAC name of 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline (CID 58658908) is 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline?
The canonical SMILES for 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline is COc1ccc(Oc2cc(-c3cccs3)nc3ccccc23)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline?
The InChIKey is KPTFANAWNHPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S/c1-23-18-9-8-13(11-15(18)21)24-19-12-17(20-7-4-10-25-20)22-16-6-3-2-5-14(16)19/h2-12H,1H3.
What are the key properties of 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline?
4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline has a molecular weight of 367.86 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline is sourced from PubChem (CID 58658908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).