7-bromo-6-ethyl-1H-quinazoline-2,4-dione

C10H9BrN2O2 — CID 170676341

IUPAC7-bromo-6-ethyl-1H-quinazoline-2,4-dione
SMILESCCc1cc2c(=O)[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-2-5-3-6-8(4-7(5)11)12-10(15)13-9(6)14/h3-4H,2H2,1H3,(H2,12,13,14,15)
InChIKeyPBRFIXJBMFAXPL-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.54
Rot. Bonds1

About 7-bromo-6-ethyl-1H-quinazoline-2,4-dione

7-bromo-6-ethyl-1H-quinazoline-2,4-dione (PubChem CID 170676341) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 7-bromo-6-ethyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-bromo-6-ethyl-1H-quinazoline-2,4-dione
PubChem CID170676341
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name7-bromo-6-ethyl-1H-quinazoline-2,4-dione
SMILESCCc1cc2c(=O)[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H9BrN2O2/c1-2-5-3-6-8(4-7(5)11)12-10(15)13-9(6)14/h3-4H,2H2,1H3,(H2,12,13,14,15)
InChIKeyPBRFIXJBMFAXPL-UHFFFAOYSA-N
XLogP1.54
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid
CID 22642157
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247
8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619019
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
5-bromo-6-[2-ethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62373406
6-(methylamino)-1H-quinazoline-2,4-dione
CID 89311421
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione
CID 134360357
6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
CID 13499296

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-ethyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-bromo-6-ethyl-1H-quinazoline-2,4-dione (CID 170676341) is 7-bromo-6-ethyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-bromo-6-ethyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-bromo-6-ethyl-1H-quinazoline-2,4-dione is CCc1cc2c(=O)[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 7-bromo-6-ethyl-1H-quinazoline-2,4-dione?
The InChIKey is PBRFIXJBMFAXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-5-3-6-8(4-7(5)11)12-10(15)13-9(6)14/h3-4H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 7-bromo-6-ethyl-1H-quinazoline-2,4-dione?
7-bromo-6-ethyl-1H-quinazoline-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-ethyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170676341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).