5-bromo-3-methyl-1,4-dihydroquinazolin-2-one

C9H9BrN2O — CID 18444524

IUPAC5-bromo-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2c(Br)cccc2NC1=O
InChIInChI=1S/C9H9BrN2O/c1-12-5-6-7(10)3-2-4-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeySZMUQIIVLVKCCL-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.43
Rot. Bonds

About 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one

5-bromo-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 18444524) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID18444524
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2c(Br)cccc2NC1=O
InChIInChI=1S/C9H9BrN2O/c1-12-5-6-7(10)3-2-4-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeySZMUQIIVLVKCCL-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 2927305
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
N-(4-bromophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 4508010
1,2,3,4-Tetrahydroquinazolin-2-one
CID 12360756
1-Benzyl-3-(4-bromophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711301
2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
CID 10086145
3-[3-(Dimethylamino)propyl]-4-methyl-1,4-dihydroquinazolin-2-one
CID 44343662
(2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 44562761
1-Benzyl-3-(4-bromo-2-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711384
5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046
6-Bromo-3,4-dihydroquinazolin-2(1H)-one
CID 66683712
4-[(Azepan-1-YL)methyl]-N-(4-bromo-3-methylphenyl)piperidine-1-carboxamide
CID 16020990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one (CID 18444524) is 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2c(Br)cccc2NC1=O.
What is the InChIKey of 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is SZMUQIIVLVKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-5-6-7(10)3-2-4-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one?
5-bromo-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 241.09 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 18444524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).