2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline

C20H22N4O — CID 3076002

IUPAC2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline
SMILESCN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H22N4O/c1-23-11-13-24(14-12-23)20-21-18-10-6-5-9-17(18)19(22-20)25-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyVGTLFAFTTICIEL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline

2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline (PubChem CID 3076002) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline
PubChem CID3076002
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline
SMILESCN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H22N4O/c1-23-11-13-24(14-12-23)20-21-18-10-6-5-9-17(18)19(22-20)25-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyVGTLFAFTTICIEL-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline (CID 3076002) is 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline is CN1CCN(c2nc(OCc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline?
The InChIKey is VGTLFAFTTICIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-11-13-24(14-12-23)20-21-18-10-6-5-9-17(18)19(22-20)25-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline?
2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline is sourced from PubChem (CID 3076002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).