2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C14H12Br2N2O2 — CID 62083583

IUPAC2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3cc(Br)c(Br)o3)nc2C1
InChIInChI=1S/C14H12Br2N2O2/c1-14(2)4-9-7(10(19)5-14)6-17-13(18-9)11-3-8(15)12(16)20-11/h3,6H,4-5H2,1-2H3
InChIKeyNGGLMNTWEPDFHF-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.42
Rot. Bonds1

About 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 62083583) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID62083583
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3cc(Br)c(Br)o3)nc2C1
InChIInChI=1S/C14H12Br2N2O2/c1-14(2)4-9-7(10(19)5-14)6-17-13(18-9)11-3-8(15)12(16)20-11/h3,6H,4-5H2,1-2H3
InChIKeyNGGLMNTWEPDFHF-UHFFFAOYSA-N
XLogP4.42
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 62083583) is 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(-c3cc(Br)c(Br)o3)nc2C1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is NGGLMNTWEPDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-14(2)4-9-7(10(19)5-14)6-17-13(18-9)11-3-8(15)12(16)20-11/h3,6H,4-5H2,1-2H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 400.07 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62083583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).