7-bromo-3,4-dihydro-1H-quinazolin-2-one

C8H7BrN2O — CID 46856483

IUPAC7-bromo-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(Br)cc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4H2,(H2,10,11,12)
InChIKeyBPYIKIULEAEKEE-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.08
Rot. Bonds

About 7-bromo-3,4-dihydro-1H-quinazolin-2-one

7-bromo-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 46856483) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-1H-quinazolin-2-one
PubChem CID46856483
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name7-bromo-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(Br)cc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4H2,(H2,10,11,12)
InChIKeyBPYIKIULEAEKEE-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.08
H-Bond Donors ≤ 52
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
1,2,3,4-Tetrahydroquinazolin-2-one
CID 12360756
1-Benzyl-3-(4-bromophenyl)urea
CID 4569723
2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
CID 10086145
(2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 44562761
4-[(4-bromophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11689302
6-Bromo-3,4-dihydroquinazolin-2(1H)-one
CID 66683712
3-[(2-Bromophenyl)methyl]-1-phenylurea
CID 60970336
7-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865047
1-Methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 14620633
5-Bromo-3,4-dihydro-3-methylquinazolin-2(1H)-one
CID 18444524

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-bromo-3,4-dihydro-1H-quinazolin-2-one (CID 46856483) is 7-bromo-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-bromo-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-bromo-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2ccc(Br)cc2N1.
What is the InChIKey of 7-bromo-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is BPYIKIULEAEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 7-bromo-3,4-dihydro-1H-quinazolin-2-one?
7-bromo-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 227.06 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 46856483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).