6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

C19H22ClN5S — CID 25178552

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN5S/c1-24-8-10-25(11-9-24)19-22-17-5-4-14(20)13-16(17)18(23-19)21-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23)
InChIKeyVTFLGHLLQUIIMW-UHFFFAOYSA-N
MW387.94 g/mol
LogP3.75
Rot. Bonds5

About 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (PubChem CID 25178552) has the molecular formula C19H22ClN5S and a molecular weight of 387.94 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
PubChem CID25178552
Molecular FormulaC19H22ClN5S
Molecular Weight387.94 g/mol
Exact Mass387.13
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN5S/c1-24-8-10-25(11-9-24)19-22-17-5-4-14(20)13-16(17)18(23-19)21-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23)
InChIKeyVTFLGHLLQUIIMW-UHFFFAOYSA-N
XLogP3.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)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-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine (CID 25178552) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
The InChIKey is VTFLGHLLQUIIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5S/c1-24-8-10-25(11-9-24)19-22-17-5-4-14(20)13-16(17)18(23-19)21-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine has a molecular weight of 387.94 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 25178552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).