2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline

C19H18N4O2 — CID 3234299

IUPAC2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
SMILESc1ccc2c(N3CCNCC3)nc(-c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C19H18N4O2/c1-2-4-15-14(3-1)19(23-9-7-20-8-10-23)22-18(21-15)13-5-6-16-17(11-13)25-12-24-16/h1-6,11,20H,7-10,12H2
InChIKeyHJZUDGZNNHAQQW-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.44
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline

2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline (PubChem CID 3234299) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
PubChem CID3234299
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline
SMILESc1ccc2c(N3CCNCC3)nc(-c3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C19H18N4O2/c1-2-4-15-14(3-1)19(23-9-7-20-8-10-23)22-18(21-15)13-5-6-16-17(11-13)25-12-24-16/h1-6,11,20H,7-10,12H2
InChIKeyHJZUDGZNNHAQQW-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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Related Compounds

2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
E-4021
CID 23665864
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
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
CP-31398
CID 9950868
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline (CID 3234299) is 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline is c1ccc2c(N3CCNCC3)nc(-c3ccc4c(c3)OCO4)nc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
The InChIKey is HJZUDGZNNHAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-4-15-14(3-1)19(23-9-7-20-8-10-23)22-18(21-15)13-5-6-16-17(11-13)25-12-24-16/h1-6,11,20H,7-10,12H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline?
2-(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 2-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 3234299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).