3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one

C11H8BrClN2O — CID 47357057

IUPAC3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
SMILESC=C(Br)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H8BrClN2O/c1-7(12)5-15-6-14-10-3-2-8(13)4-9(10)11(15)16/h2-4,6H,1,5H2
InChIKeyUVBTUGJTKVUPCU-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.96
Rot. Bonds2

About 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one

3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one (PubChem CID 47357057) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
PubChem CID47357057
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
SMILESC=C(Br)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H8BrClN2O/c1-7(12)5-15-6-14-10-3-2-8(13)4-9(10)11(15)16/h2-4,6H,1,5H2
InChIKeyUVBTUGJTKVUPCU-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoprop-2-enyl)-6-nitroquinazolin-4-one
CID 52727110
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
6-chloro-3-[2-(4-nitrophenyl)-2-oxoethyl]quinazolin-4-one
CID 4997929
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one?
The IUPAC name of 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one (CID 47357057) is 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one?
The canonical SMILES for 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one is C=C(Br)Cn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one?
The InChIKey is UVBTUGJTKVUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-7(12)5-15-6-14-10-3-2-8(13)4-9(10)11(15)16/h2-4,6H,1,5H2.
What are the key properties of 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one?
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one has a molecular weight of 299.56 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one is sourced from PubChem (CID 47357057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).