8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine

C21H16N4O2S — CID 171351535

IUPAC8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine
SMILESO=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5cc[nH]c5c4)c3cc21
InChIInChI=1S/C21H16N4O2S/c26-28(27)10-17(12-1-2-12)15-8-19-16(9-20(15)28)21(24-11-23-19)25-14-4-3-13-5-6-22-18(13)7-14/h3-12,22H,1-2H2,(H,23,24,25)
InChIKeyPIDHPEYXLZTGQO-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.39
Rot. Bonds3

About 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine

8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine (PubChem CID 171351535) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine
PubChem CID171351535
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine
SMILESO=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5cc[nH]c5c4)c3cc21
InChIInChI=1S/C21H16N4O2S/c26-28(27)10-17(12-1-2-12)15-8-19-16(9-20(15)28)21(24-11-23-19)25-14-4-3-13-5-6-22-18(13)7-14/h3-12,22H,1-2H2,(H,23,24,25)
InChIKeyPIDHPEYXLZTGQO-UHFFFAOYSA-N
XLogP4.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine?
The IUPAC name of 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine (CID 171351535) is 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine.
What is the SMILES notation for 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine?
The canonical SMILES for 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine is O=S1(=O)C=C(C2CC2)c2cc3ncnc(Nc4ccc5cc[nH]c5c4)c3cc21.
What is the InChIKey of 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine?
The InChIKey is PIDHPEYXLZTGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-28(27)10-17(12-1-2-12)15-8-19-16(9-20(15)28)21(24-11-23-19)25-14-4-3-13-5-6-22-18(13)7-14/h3-12,22H,1-2H2,(H,23,24,25).
What are the key properties of 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine?
8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine has a molecular weight of 388.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-(1H-indol-6-yl)-6,6-dioxothieno[2,3-g]quinazolin-4-amine is sourced from PubChem (CID 171351535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).