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

C21H24ClN5 — CID 25178131

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C21H24ClN5/c1-26-11-13-27(14-12-26)21-24-19-8-7-17(22)15-18(19)20(25-21)23-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,24,25)
InChIKeyLCGYRMCRRGNDFQ-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.69
Rot. Bonds5

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

6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine (PubChem CID 25178131) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
PubChem CID25178131
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C21H24ClN5/c1-26-11-13-27(14-12-26)21-24-19-8-7-17(22)15-18(19)20(25-21)23-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,24,25)
InChIKeyLCGYRMCRRGNDFQ-UHFFFAOYSA-N
XLogP3.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine (CID 25178131) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine is CN1CCN(c2nc(NCCc3ccccc3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine?
The InChIKey is LCGYRMCRRGNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5/c1-26-11-13-27(14-12-26)21-24-19-8-7-17(22)15-18(19)20(25-21)23-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,24,25).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine has a molecular weight of 381.91 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 25178131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).