7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one

C13H15BrN4O — CID 156889140

IUPAC7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCN1CCN(n2cnc3cc(Br)ccc3c2=O)CC1
InChIInChI=1S/C13H15BrN4O/c1-16-4-6-17(7-5-16)18-9-15-12-8-10(14)2-3-11(12)13(18)19/h2-3,8-9H,4-7H2,1H3
InChIKeyZVBPWDIYRJYIMB-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.04
Rot. Bonds1

About 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one

7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one (PubChem CID 156889140) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
PubChem CID156889140
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCN1CCN(n2cnc3cc(Br)ccc3c2=O)CC1
InChIInChI=1S/C13H15BrN4O/c1-16-4-6-17(7-5-16)18-9-15-12-8-10(14)2-3-11(12)13(18)19/h2-3,8-9H,4-7H2,1H3
InChIKeyZVBPWDIYRJYIMB-UHFFFAOYSA-N
XLogP1.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 71037622
7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 156888869
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024984
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
CID 106455785
7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
CID 91474123

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one (CID 156889140) is 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one is CN1CCN(n2cnc3cc(Br)ccc3c2=O)CC1.
What is the InChIKey of 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is ZVBPWDIYRJYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-16-4-6-17(7-5-16)18-9-15-12-8-10(14)2-3-11(12)13(18)19/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one?
7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 323.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 156889140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).