2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline

C24H27ClN4 — CID 20963273

IUPAC2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
SMILESClc1ccc(-c2nc(N3CCN(C4CCCCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27ClN4/c25-19-12-10-18(11-13-19)23-26-22-9-5-4-8-21(22)24(27-23)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-17H2
InChIKeyVAQOALWUXSOHSD-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.40
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline

2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline (PubChem CID 20963273) has the molecular formula C24H27ClN4 and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
PubChem CID20963273
Molecular FormulaC24H27ClN4
Molecular Weight406.96 g/mol
Exact Mass406.19
IUPAC Name2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
SMILESClc1ccc(-c2nc(N3CCN(C4CCCCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27ClN4/c25-19-12-10-18(11-13-19)23-26-22-9-5-4-8-21(22)24(27-23)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-17H2
InChIKeyVAQOALWUXSOHSD-UHFFFAOYSA-N
XLogP5.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline (CID 20963273) is 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline is Clc1ccc(-c2nc(N3CCN(C4CCCCC4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline?
The InChIKey is VAQOALWUXSOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4/c25-19-12-10-18(11-13-19)23-26-22-9-5-4-8-21(22)24(27-23)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-17H2.
What are the key properties of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline?
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline has a molecular weight of 406.96 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 20963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).