12-thiophen-3-ylindolo[2,1-a]phthalazine

C19H12N2S — CID 162409810

IUPAC12-thiophen-3-ylindolo[2,1-a]phthalazine
SMILESc1ccc2c(c1)cnn1c3ccccc3c(-c3ccsc3)c21
InChIInChI=1S/C19H12N2S/c1-2-6-15-13(5-1)11-20-21-17-8-4-3-7-16(17)18(19(15)21)14-9-10-22-12-14/h1-12H
InChIKeyIEXMHAUBJPPDMB-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.37
Rot. Bonds1

About 12-thiophen-3-ylindolo[2,1-a]phthalazine

12-thiophen-3-ylindolo[2,1-a]phthalazine (PubChem CID 162409810) has the molecular formula C19H12N2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 12-thiophen-3-ylindolo[2,1-a]phthalazine.

Molecular Properties

Compound Name12-thiophen-3-ylindolo[2,1-a]phthalazine
PubChem CID162409810
Molecular FormulaC19H12N2S
Molecular Weight300.39 g/mol
Exact Mass300.07
IUPAC Name12-thiophen-3-ylindolo[2,1-a]phthalazine
SMILESc1ccc2c(c1)cnn1c3ccccc3c(-c3ccsc3)c21
InChIInChI=1S/C19H12N2S/c1-2-6-15-13(5-1)11-20-21-17-8-4-3-7-16(17)18(19(15)21)14-9-10-22-12-14/h1-12H
InChIKeyIEXMHAUBJPPDMB-UHFFFAOYSA-N
XLogP5.37
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472
6-Thiophen-2-ylindolizino[3,2-c]quinoline
CID 145950787
[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)thiophen-3-yl]boronic acid
CID 153521517
4-(1-Thiophen-2-ylpyrazol-4-yl)quinoline
CID 70681380

Frequently Asked Questions

What is the IUPAC name of 12-thiophen-3-ylindolo[2,1-a]phthalazine?
The IUPAC name of 12-thiophen-3-ylindolo[2,1-a]phthalazine (CID 162409810) is 12-thiophen-3-ylindolo[2,1-a]phthalazine.
What is the SMILES notation for 12-thiophen-3-ylindolo[2,1-a]phthalazine?
The canonical SMILES for 12-thiophen-3-ylindolo[2,1-a]phthalazine is c1ccc2c(c1)cnn1c3ccccc3c(-c3ccsc3)c21.
What is the InChIKey of 12-thiophen-3-ylindolo[2,1-a]phthalazine?
The InChIKey is IEXMHAUBJPPDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2S/c1-2-6-15-13(5-1)11-20-21-17-8-4-3-7-16(17)18(19(15)21)14-9-10-22-12-14/h1-12H.
What are the key properties of 12-thiophen-3-ylindolo[2,1-a]phthalazine?
12-thiophen-3-ylindolo[2,1-a]phthalazine has a molecular weight of 300.39 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-thiophen-3-ylindolo[2,1-a]phthalazine is sourced from PubChem (CID 162409810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).