ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate

C12H10Br2N2O3 — CID 9136125

IUPACethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C12H10Br2N2O3/c1-2-19-10(17)5-16-6-15-11-8(12(16)18)3-7(13)4-9(11)14/h3-4,6H,2,5H2,1H3
InChIKeyGNQRKKIMEFLQNB-UHFFFAOYSA-N
MW390.03 g/mol
LogP2.48
Rot. Bonds3

About ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate

ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate (PubChem CID 9136125) has the molecular formula C12H10Br2N2O3 and a molecular weight of 390.03 g/mol. Its IUPAC name is ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
PubChem CID9136125
Molecular FormulaC12H10Br2N2O3
Molecular Weight390.03 g/mol
Exact Mass387.91
IUPAC Nameethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C12H10Br2N2O3/c1-2-19-10(17)5-16-6-15-11-8(12(16)18)3-7(13)4-9(11)14/h3-4,6H,2,5H2,1H3
InChIKeyGNQRKKIMEFLQNB-UHFFFAOYSA-N
XLogP2.48
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
CID 9136137
ethyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340203
6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one
CID 99839919
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453
ethyl 4-(3,5-dibromo-2-oxo-1-pyridinyl)-3-oxobutanoate
CID 113413565
ethyl 2-(5,7-dibromo-2,3-dioxoindol-1-yl)acetate
CID 4730341
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939323
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate (CID 9136125) is ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate is CCOC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O.
What is the InChIKey of ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate?
The InChIKey is GNQRKKIMEFLQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3/c1-2-19-10(17)5-16-6-15-11-8(12(16)18)3-7(13)4-9(11)14/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate?
ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate has a molecular weight of 390.03 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 9136125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).