7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one

C11H8BrClN2O — CID 81435822

IUPAC7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1C/C=C/Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-2-3-9-10(6-8)14-7-15(11(9)16)5-1-4-13/h1-4,6-7H,5H2/b4-1+
InChIKeyOOIVNAUMGIBSHL-DAFODLJHSA-N
MW299.56 g/mol
LogP2.91
Rot. Bonds2

About 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one

7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one (PubChem CID 81435822) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
PubChem CID81435822
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1C/C=C/Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-2-3-9-10(6-8)14-7-15(11(9)16)5-1-4-13/h1-4,6-7H,5H2/b4-1+
InChIKeyOOIVNAUMGIBSHL-DAFODLJHSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
3-[(E)-3-chloroprop-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 115575432

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one (CID 81435822) is 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1C/C=C/Cl.
What is the InChIKey of 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one?
The InChIKey is OOIVNAUMGIBSHL-DAFODLJHSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-2-3-9-10(6-8)14-7-15(11(9)16)5-1-4-13/h1-4,6-7H,5H2/b4-1+.
What are the key properties of 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one?
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one has a molecular weight of 299.56 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one is sourced from PubChem (CID 81435822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).