6-bromo-3-ethyl-4aH-quinazoline-2,4-dione

C10H9BrN2O2 — CID 76845574

IUPAC6-bromo-3-ethyl-4aH-quinazoline-2,4-dione
SMILESCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C10H9BrN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5,7H,2H2,1H3
InChIKeyDIVWODUTBSLGQP-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.87
Rot. Bonds1

About 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione

6-bromo-3-ethyl-4aH-quinazoline-2,4-dione (PubChem CID 76845574) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-ethyl-4aH-quinazoline-2,4-dione
PubChem CID76845574
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-bromo-3-ethyl-4aH-quinazoline-2,4-dione
SMILESCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C10H9BrN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5,7H,2H2,1H3
InChIKeyDIVWODUTBSLGQP-UHFFFAOYSA-N
XLogP1.87
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione (CID 76845574) is 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione is CCN1C(=O)N=C2C=CC(Br)=CC2C1=O.
What is the InChIKey of 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione?
The InChIKey is DIVWODUTBSLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-13-9(14)7-5-6(11)3-4-8(7)12-10(13)15/h3-5,7H,2H2,1H3.
What are the key properties of 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione?
6-bromo-3-ethyl-4aH-quinazoline-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 76845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).