4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride

C21H25ClN4 — CID 2790962

IUPAC4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1.Cl
InChIInChI=1S/C21H24N4.ClH/c1-3-24-12-14-25(15-13-24)21-18-6-4-5-7-19(18)22-20(23-21)17-10-8-16(2)9-11-17;/h4-11H,3,12-15H2,1-2H3;1H
InChIKeySIQLNPVETBVMIE-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.17
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride

4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride (PubChem CID 2790962) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
PubChem CID2790962
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1.Cl
InChIInChI=1S/C21H24N4.ClH/c1-3-24-12-14-25(15-13-24)21-18-6-4-5-7-19(18)22-20(23-21)17-10-8-16(2)9-11-17;/h4-11H,3,12-15H2,1-2H3;1H
InChIKeySIQLNPVETBVMIE-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride (CID 2790962) is 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride is CCN1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1.Cl.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride?
The InChIKey is SIQLNPVETBVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.ClH/c1-3-24-12-14-25(15-13-24)21-18-6-4-5-7-19(18)22-20(23-21)17-10-8-16(2)9-11-17;/h4-11H,3,12-15H2,1-2H3;1H.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride?
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride is sourced from PubChem (CID 2790962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).