4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline

C19H19FN4 — CID 11151417

IUPAC4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3cccc(F)c3)c3ccccc3n2)CC1
InChIInChI=1S/C19H19FN4/c1-23-9-11-24(12-10-23)19-21-17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3
InChIKeyLICZRHXUMYKOJK-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.19
Rot. Bonds2

About 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline

4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 11151417) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
PubChem CID11151417
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3cccc(F)c3)c3ccccc3n2)CC1
InChIInChI=1S/C19H19FN4/c1-23-9-11-24(12-10-23)19-21-17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3
InChIKeyLICZRHXUMYKOJK-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline (CID 11151417) is 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2nc(-c3cccc(F)c3)c3ccccc3n2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is LICZRHXUMYKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-23-9-11-24(12-10-23)19-21-17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline?
4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 322.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 11151417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).