7-bromo-3-pent-4-enylquinazolin-4-one

C13H13BrN2O — CID 78992940

IUPAC7-bromo-3-pent-4-enylquinazolin-4-one
SMILESC=CCCCn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C13H13BrN2O/c1-2-3-4-7-16-9-15-12-8-10(14)5-6-11(12)13(16)17/h2,5-6,8-9H,1,3-4,7H2
InChIKeyDZKXWSMETOMZSR-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.13
Rot. Bonds4

About 7-bromo-3-pent-4-enylquinazolin-4-one

7-bromo-3-pent-4-enylquinazolin-4-one (PubChem CID 78992940) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 7-bromo-3-pent-4-enylquinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-pent-4-enylquinazolin-4-one
PubChem CID78992940
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name7-bromo-3-pent-4-enylquinazolin-4-one
SMILESC=CCCCn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C13H13BrN2O/c1-2-3-4-7-16-9-15-12-8-10(14)5-6-11(12)13(16)17/h2,5-6,8-9H,1,3-4,7H2
InChIKeyDZKXWSMETOMZSR-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methylsulfonyl-3-pent-4-enylquinazolin-4-one
CID 163209914
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
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
5-bromo-3-pent-4-enylpyrimidin-4-one
CID 66310204
7-bromo-3-propylquinazolin-4-one;7-bromo-3H-quinazolin-4-one;1-iodopropane
CID 157465829
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-pent-4-enylquinazolin-4-one?
The IUPAC name of 7-bromo-3-pent-4-enylquinazolin-4-one (CID 78992940) is 7-bromo-3-pent-4-enylquinazolin-4-one.
What is the SMILES notation for 7-bromo-3-pent-4-enylquinazolin-4-one?
The canonical SMILES for 7-bromo-3-pent-4-enylquinazolin-4-one is C=CCCCn1cnc2cc(Br)ccc2c1=O.
What is the InChIKey of 7-bromo-3-pent-4-enylquinazolin-4-one?
The InChIKey is DZKXWSMETOMZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-3-4-7-16-9-15-12-8-10(14)5-6-11(12)13(16)17/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 7-bromo-3-pent-4-enylquinazolin-4-one?
7-bromo-3-pent-4-enylquinazolin-4-one has a molecular weight of 293.16 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-pent-4-enylquinazolin-4-one is sourced from PubChem (CID 78992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).