7-bromo-6-chloro-4aH-quinazolin-4-one

C8H4BrClN2O — CID 71304021

IUPAC7-bromo-6-chloro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)C(Cl)=CC12
InChIInChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-4H
InChIKeyXMFUMPUGQQJGOU-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.03
Rot. Bonds

About 7-bromo-6-chloro-4aH-quinazolin-4-one

7-bromo-6-chloro-4aH-quinazolin-4-one (PubChem CID 71304021) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 7-bromo-6-chloro-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6-chloro-4aH-quinazolin-4-one
PubChem CID71304021
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name7-bromo-6-chloro-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)C(Cl)=CC12
InChIInChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-4H
InChIKeyXMFUMPUGQQJGOU-UHFFFAOYSA-N
XLogP2.03
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-5-iodo-4(4aH)-quinazolinone
CID 374002
6-bromo-7-fluoro-2-methyl-4aH-quinazolin-4-one
CID 130166830
7-bromo-6-chloro-8-fluoro-4aH-quinazolin-4-one
CID 156592401
4aH-quinazolin-4-one
CID 57015225
6-bromo-2-chloro-4aH-quinazolin-4-one
CID 71651008
2-chloro-4aH-quinazolin-4-one
CID 77520340
5-chloro-4aH-quinazolin-4-one
CID 71303729
6-bromo-7-methyl-4aH-quinazolin-4-one
CID 71303931
7-bromo-4aH-quinazolin-4-one
CID 71304026
2-amino-7-bromo-4aH-quinazolin-4-one
CID 72208491
8-bromo-4aH-quinazolin-4-one
CID 72218696
2,7-dichloro-4aH-quinazolin-4-one
CID 73185634

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-4aH-quinazolin-4-one?
The IUPAC name of 7-bromo-6-chloro-4aH-quinazolin-4-one (CID 71304021) is 7-bromo-6-chloro-4aH-quinazolin-4-one.
What is the SMILES notation for 7-bromo-6-chloro-4aH-quinazolin-4-one?
The canonical SMILES for 7-bromo-6-chloro-4aH-quinazolin-4-one is O=C1N=CN=C2C=C(Br)C(Cl)=CC12.
What is the InChIKey of 7-bromo-6-chloro-4aH-quinazolin-4-one?
The InChIKey is XMFUMPUGQQJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-4H.
What are the key properties of 7-bromo-6-chloro-4aH-quinazolin-4-one?
7-bromo-6-chloro-4aH-quinazolin-4-one has a molecular weight of 259.49 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-4aH-quinazolin-4-one is sourced from PubChem (CID 71304021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).