6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C21H17N5S — CID 44968208

IUPAC6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCn1ncc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc21
InChIInChI=1S/C21H17N5S/c1-26-20-10-15(4-5-16(20)11-25-26)14-6-7-19-18(9-14)21(24-13-23-19)22-12-17-3-2-8-27-17/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyUDDOADGLWVILSJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.86
Rot. Bonds4

About 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 44968208) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID44968208
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCn1ncc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc21
InChIInChI=1S/C21H17N5S/c1-26-20-10-15(4-5-16(20)11-25-26)14-6-7-19-18(9-14)21(24-13-23-19)22-12-17-3-2-8-27-17/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyUDDOADGLWVILSJ-UHFFFAOYSA-N
XLogP4.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)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 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 44968208) is 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Cn1ncc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc21.
What is the InChIKey of 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is UDDOADGLWVILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-26-20-10-15(4-5-16(20)11-25-26)14-6-7-19-18(9-14)21(24-13-23-19)22-12-17-3-2-8-27-17/h2-11,13H,12H2,1H3,(H,22,23,24).
What are the key properties of 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 44968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).