4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline

C15H17ClN4 — CID 639541

IUPAC4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SMILESC=CCN1CCN(c2nc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C15H17ClN4/c1-2-7-19-8-10-20(11-9-19)15-17-13-6-4-3-5-12(13)14(16)18-15/h2-6H,1,7-11H2
InChIKeyPMKWCFGQFRTPOD-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline

4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline (PubChem CID 639541) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
PubChem CID639541
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SMILESC=CCN1CCN(c2nc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C15H17ClN4/c1-2-7-19-8-10-20(11-9-19)15-17-13-6-4-3-5-12(13)14(16)18-15/h2-6H,1,7-11H2
InChIKeyPMKWCFGQFRTPOD-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline (CID 639541) is 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline is C=CCN1CCN(c2nc(Cl)c3ccccc3n2)CC1.
What is the InChIKey of 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The InChIKey is PMKWCFGQFRTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-2-7-19-8-10-20(11-9-19)15-17-13-6-4-3-5-12(13)14(16)18-15/h2-6H,1,7-11H2.
What are the key properties of 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline has a molecular weight of 288.78 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-prop-2-enylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 639541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).