3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline

C21H26N4O — CID 68554630

IUPAC3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
SMILESCOc1ccccc1CN1Cc2ccccc2N=C1N1CCN(C)CC1
InChIInChI=1S/C21H26N4O/c1-23-11-13-24(14-12-23)21-22-19-9-5-3-7-17(19)15-25(21)16-18-8-4-6-10-20(18)26-2/h3-10H,11-16H2,1-2H3
InChIKeyLCMLBZUMPARBBX-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.95
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline

3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline (PubChem CID 68554630) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
PubChem CID68554630
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
SMILESCOc1ccccc1CN1Cc2ccccc2N=C1N1CCN(C)CC1
InChIInChI=1S/C21H26N4O/c1-23-11-13-24(14-12-23)21-22-19-9-5-3-7-17(19)15-25(21)16-18-8-4-6-10-20(18)26-2/h3-10H,11-16H2,1-2H3
InChIKeyLCMLBZUMPARBBX-UHFFFAOYSA-N
XLogP2.95
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline (CID 68554630) is 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline is COc1ccccc1CN1Cc2ccccc2N=C1N1CCN(C)CC1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline?
The InChIKey is LCMLBZUMPARBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-23-11-13-24(14-12-23)21-22-19-9-5-3-7-17(19)15-25(21)16-18-8-4-6-10-20(18)26-2/h3-10H,11-16H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline?
3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline has a molecular weight of 350.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline is sourced from PubChem (CID 68554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).