2-bromo-6,7-dimethoxy-3H-quinazolin-4-one

C10H9BrN2O3 — CID 163409774

IUPAC2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(Br)[nH]c(=O)c2cc1OC
InChIInChI=1S/C10H9BrN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyFQLUGIJASAMPRC-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.70
Rot. Bonds2

About 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one

2-bromo-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 163409774) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID163409774
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(Br)[nH]c(=O)c2cc1OC
InChIInChI=1S/C10H9BrN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyFQLUGIJASAMPRC-UHFFFAOYSA-N
XLogP1.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
diaminomethylidene-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)azanium
CID 135449625
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
2-(3-chloro-3-methylcyclobutyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136506679
2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854648
2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135964329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one (CID 163409774) is 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(Br)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is FQLUGIJASAMPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one?
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 285.10 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 163409774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).