2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline

C20H20N4O2 — CID 3234282

IUPAC2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1
InChIInChI=1S/C20H20N4O2/c1-23-8-10-24(11-9-23)20-15-4-2-3-5-16(15)21-19(22-20)14-6-7-17-18(12-14)26-13-25-17/h2-7,12H,8-11,13H2,1H3
InChIKeyWMAJWZGKANIMBO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.78
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline

2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 3234282) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID3234282
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1
InChIInChI=1S/C20H20N4O2/c1-23-8-10-24(11-9-23)20-15-4-2-3-5-16(15)21-19(22-20)14-6-7-17-18(12-14)26-13-25-17/h2-7,12H,8-11,13H2,1H3
InChIKeyWMAJWZGKANIMBO-UHFFFAOYSA-N
XLogP2.78
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Piribedil
CID 4850
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
E-4021
CID 23665864
Piribedil Hydrochloride
CID 3038520
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
CID 616293
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 3234282) is 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is WMAJWZGKANIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-8-10-24(11-9-23)20-15-4-2-3-5-16(15)21-19(22-20)14-6-7-17-18(12-14)26-13-25-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 348.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 3234282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).