6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

C14H11BrN2O3 — CID 82006405

IUPAC6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)c3ccc(Br)o3)ccc2NC1=O
InChIInChI=1S/C14H11BrN2O3/c1-17-7-9-6-8(2-3-10(9)16-14(17)19)13(18)11-4-5-12(15)20-11/h2-6H,7H2,1H3,(H,16,19)
InChIKeyTYEFTVXQINHYII-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.25
Rot. Bonds2

About 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82006405) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82006405
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)c3ccc(Br)o3)ccc2NC1=O
InChIInChI=1S/C14H11BrN2O3/c1-17-7-9-6-8(2-3-10(9)16-14(17)19)13(18)11-4-5-12(15)20-11/h2-6H,7H2,1H3,(H,16,19)
InChIKeyTYEFTVXQINHYII-UHFFFAOYSA-N
XLogP3.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromobenzoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82005965
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
6-[(5-bromofuran-2-yl)-chloromethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010221
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63020563
3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
CID 82010256
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
6-(4-chlorobutanoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 105400924
6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103400467
6-(2-cyclobutylacetyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103162574
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82006405) is 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(=O)c3ccc(Br)o3)ccc2NC1=O.
What is the InChIKey of 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is TYEFTVXQINHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-17-7-9-6-8(2-3-10(9)16-14(17)19)13(18)11-4-5-12(15)20-11/h2-6H,7H2,1H3,(H,16,19).
What are the key properties of 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 335.16 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82006405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).