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

C20H22Cl2N4 — CID 2901327

IUPAC2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1.Cl
InChIInChI=1S/C20H21ClN4.ClH/c1-2-24-11-13-25(14-12-24)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21;/h3-10H,2,11-14H2,1H3;1H
InChIKeyIBPUCZVFGHVSEJ-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.51
Rot. Bonds3

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

2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride (PubChem CID 2901327) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride
PubChem CID2901327
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1.Cl
InChIInChI=1S/C20H21ClN4.ClH/c1-2-24-11-13-25(14-12-24)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21;/h3-10H,2,11-14H2,1H3;1H
InChIKeyIBPUCZVFGHVSEJ-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride (CID 2901327) is 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride is CCN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride?
The InChIKey is IBPUCZVFGHVSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4.ClH/c1-2-24-11-13-25(14-12-24)20-16-8-4-6-10-18(16)22-19(23-20)15-7-3-5-9-17(15)21;/h3-10H,2,11-14H2,1H3;1H.
What are the key properties of 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride?
2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride has a molecular weight of 389.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline;hydrochloride is sourced from PubChem (CID 2901327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).