6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C23H22N4OS — CID 15956172

IUPAC6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyITIRBSCRPSPMII-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.25
Rot. Bonds4

About 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 15956172) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID15956172
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyITIRBSCRPSPMII-UHFFFAOYSA-N
XLogP5.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)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-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 15956172) is 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is Cc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1.
What is the InChIKey of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is ITIRBSCRPSPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 402.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 15956172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).