7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline

C30H23N3OS — CID 143092887

IUPAC7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline
SMILESCCc1nc(-c2ccccn2)c(Oc2ccnc3cc(-c4csc5ccccc45)ccc23)cc1C
InChIInChI=1S/C30H23N3OS/c1-3-24-19(2)16-28(30(33-24)25-9-6-7-14-31-25)34-27-13-15-32-26-17-20(11-12-22(26)27)23-18-35-29-10-5-4-8-21(23)29/h4-18H,3H2,1-2H3
InChIKeySSDXQQSZKLNBIE-UHFFFAOYSA-N
MW473.60 g/mol
LogP8.24
Rot. Bonds5

About 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline

7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline (PubChem CID 143092887) has the molecular formula C30H23N3OS and a molecular weight of 473.60 g/mol. Its IUPAC name is 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline
PubChem CID143092887
Molecular FormulaC30H23N3OS
Molecular Weight473.60 g/mol
Exact Mass473.16
IUPAC Name7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline
SMILESCCc1nc(-c2ccccn2)c(Oc2ccnc3cc(-c4csc5ccccc45)ccc23)cc1C
InChIInChI=1S/C30H23N3OS/c1-3-24-19(2)16-28(30(33-24)25-9-6-7-14-31-25)34-27-13-15-32-26-17-20(11-12-22(26)27)23-18-35-29-10-5-4-8-21(23)29/h4-18H,3H2,1-2H3
InChIKeySSDXQQSZKLNBIE-UHFFFAOYSA-N
XLogP8.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline 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

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
6-{5-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646998
8-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
CID 122172692
7-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
7-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
CID 122172696
1-(4-Methoxyphenyl)-3-thiophen-2-ylbenzo[f][1,7]naphthyridine
CID 137652285
US10941138, Example 94
CID 135178796
6-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
CID 155803095
6-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 155803099
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
1-[6-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinolin-1-ium-1-yl]ethanone
CID 155803096
4-({5-[(6-Methylpyridin-3-YL)oxy]pentyl}sulfanyl)-7-(trifluoromethyl)quinoline
CID 15951594

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline?
The IUPAC name of 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline (CID 143092887) is 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline.
What is the SMILES notation for 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline?
The canonical SMILES for 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline is CCc1nc(-c2ccccn2)c(Oc2ccnc3cc(-c4csc5ccccc45)ccc23)cc1C.
What is the InChIKey of 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline?
The InChIKey is SSDXQQSZKLNBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3OS/c1-3-24-19(2)16-28(30(33-24)25-9-6-7-14-31-25)34-27-13-15-32-26-17-20(11-12-22(26)27)23-18-35-29-10-5-4-8-21(23)29/h4-18H,3H2,1-2H3.
What are the key properties of 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline?
7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline has a molecular weight of 473.60 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-3-yl)-4-[(6-ethyl-5-methyl-2-pyridin-2-yl-3-pyridinyl)oxy]quinoline is sourced from PubChem (CID 143092887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).