7-ethoxy-2,4-dipropylthieno[2,3-b]indole

C18H23NOS — CID 23210590

IUPAC7-ethoxy-2,4-dipropylthieno[2,3-b]indole
SMILESCCCc1cc2c3cc(OCC)ccc3n(CCC)c2s1
InChIInChI=1S/C18H23NOS/c1-4-7-14-12-16-15-11-13(20-6-3)8-9-17(15)19(10-5-2)18(16)21-14/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVUAVHGAKPWCNGY-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.62
Rot. Bonds6

About 7-ethoxy-2,4-dipropylthieno[2,3-b]indole

7-ethoxy-2,4-dipropylthieno[2,3-b]indole (PubChem CID 23210590) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 7-ethoxy-2,4-dipropylthieno[2,3-b]indole.

Molecular Properties

Compound Name7-ethoxy-2,4-dipropylthieno[2,3-b]indole
PubChem CID23210590
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name7-ethoxy-2,4-dipropylthieno[2,3-b]indole
SMILESCCCc1cc2c3cc(OCC)ccc3n(CCC)c2s1
InChIInChI=1S/C18H23NOS/c1-4-7-14-12-16-15-11-13(20-6-3)8-9-17(15)19(10-5-2)18(16)21-14/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVUAVHGAKPWCNGY-UHFFFAOYSA-N
XLogP5.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfanylacetamide
CID 43984565
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
4-[3-(5-ethoxy-1-propylindol-3-yl)propyl]morpholine
CID 170871037
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
2-(5-ethoxy-1,2-dimethylindol-3-yl)acetonitrile
CID 82494814
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 43984449
2-ethoxy-8-methoxydibenzothiophene
CID 172565133

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2,4-dipropylthieno[2,3-b]indole?
The IUPAC name of 7-ethoxy-2,4-dipropylthieno[2,3-b]indole (CID 23210590) is 7-ethoxy-2,4-dipropylthieno[2,3-b]indole.
What is the SMILES notation for 7-ethoxy-2,4-dipropylthieno[2,3-b]indole?
The canonical SMILES for 7-ethoxy-2,4-dipropylthieno[2,3-b]indole is CCCc1cc2c3cc(OCC)ccc3n(CCC)c2s1.
What is the InChIKey of 7-ethoxy-2,4-dipropylthieno[2,3-b]indole?
The InChIKey is VUAVHGAKPWCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-7-14-12-16-15-11-13(20-6-3)8-9-17(15)19(10-5-2)18(16)21-14/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 7-ethoxy-2,4-dipropylthieno[2,3-b]indole?
7-ethoxy-2,4-dipropylthieno[2,3-b]indole has a molecular weight of 301.46 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,4-dipropylthieno[2,3-b]indole is sourced from PubChem (CID 23210590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).