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

C19H19ClN4 — CID 914528

IUPAC2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C19H19ClN4/c1-23-10-12-24(13-11-23)19-15-7-3-5-9-17(15)21-18(22-19)14-6-2-4-8-16(14)20/h2-9H,10-13H2,1H3
InChIKeyCZHLUSHSTNMXMO-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.70
Rot. Bonds2

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

2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 914528) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID914528
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C19H19ClN4/c1-23-10-12-24(13-11-23)19-15-7-3-5-9-17(15)21-18(22-19)14-6-2-4-8-16(14)20/h2-9H,10-13H2,1H3
InChIKeyCZHLUSHSTNMXMO-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.70
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-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 914528) is 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is CZHLUSHSTNMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-23-10-12-24(13-11-23)19-15-7-3-5-9-17(15)21-18(22-19)14-6-2-4-8-16(14)20/h2-9H,10-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline?
2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 338.84 g/mol, XLogP of 3.70, 2 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-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 914528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).