6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline

C19H18N4O2 — CID 3234264

IUPAC6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
SMILESc1nc(N2CCNCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H18N4O2/c1-3-16-15(19(22-11-21-16)23-7-5-20-6-8-23)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11,20H,5-8,12H2
InChIKeyWVUITNJNSZRMPM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.44
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline

6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline (PubChem CID 3234264) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
PubChem CID3234264
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
SMILESc1nc(N2CCNCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H18N4O2/c1-3-16-15(19(22-11-21-16)23-7-5-20-6-8-23)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11,20H,5-8,12H2
InChIKeyWVUITNJNSZRMPM-UHFFFAOYSA-N
XLogP2.44
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline (CID 3234264) is 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline is c1nc(N2CCNCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The InChIKey is WVUITNJNSZRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-16-15(19(22-11-21-16)23-7-5-20-6-8-23)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11,20H,5-8,12H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline has a molecular weight of 334.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 3234264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).