2-(1-bromoethenyl)-3H-quinazolin-4-one

C10H7BrN2O — CID 136903471

IUPAC2-(1-bromoethenyl)-3H-quinazolin-4-one
SMILESC=C(Br)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H7BrN2O/c1-6(11)9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5H,1H2,(H,12,13,14)
InChIKeyGKJQZFJSPBYYNB-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.29
Rot. Bonds1

About 2-(1-bromoethenyl)-3H-quinazolin-4-one

2-(1-bromoethenyl)-3H-quinazolin-4-one (PubChem CID 136903471) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(1-bromoethenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-bromoethenyl)-3H-quinazolin-4-one
PubChem CID136903471
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-(1-bromoethenyl)-3H-quinazolin-4-one
SMILESC=C(Br)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H7BrN2O/c1-6(11)9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5H,1H2,(H,12,13,14)
InChIKeyGKJQZFJSPBYYNB-UHFFFAOYSA-N
XLogP2.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-oxo-3H-quinazoline-2-carbothioamide
CID 135722019
2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
CID 137019869
2-[(Z)-1-chloro-2-[3-[(Z)-2-chloro-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl]ethenyl]-3H-quinazolin-4-one
CID 135868153
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
3-hydroxy-2-(4-oxo-3H-quinazolin-2-yl)-4-piperidin-1-ium-1-ylbut-2-enenitrile
CID 135538977
2-(quinoline-3-carbonyl)-3H-quinazolin-4-one
CID 135457794
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-bromoethenyl)-3H-quinazolin-4-one (CID 136903471) is 2-(1-bromoethenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-bromoethenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-bromoethenyl)-3H-quinazolin-4-one is C=C(Br)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(1-bromoethenyl)-3H-quinazolin-4-one?
The InChIKey is GKJQZFJSPBYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c1-6(11)9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5H,1H2,(H,12,13,14).
What are the key properties of 2-(1-bromoethenyl)-3H-quinazolin-4-one?
2-(1-bromoethenyl)-3H-quinazolin-4-one has a molecular weight of 251.08 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136903471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).