(7-bromo-2-oxoquinolin-1-yl)methyl acetate

C12H10BrNO3 — CID 141275996

IUPAC(7-bromo-2-oxoquinolin-1-yl)methyl acetate
SMILESCC(=O)OCn1c(=O)ccc2ccc(Br)cc21
InChIInChI=1S/C12H10BrNO3/c1-8(15)17-7-14-11-6-10(13)4-2-9(11)3-5-12(14)16/h2-6H,7H2,1H3
InChIKeyMDGHNCUTGFBXBC-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.28
Rot. Bonds2

About (7-bromo-2-oxoquinolin-1-yl)methyl acetate

(7-bromo-2-oxoquinolin-1-yl)methyl acetate (PubChem CID 141275996) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is (7-bromo-2-oxoquinolin-1-yl)methyl acetate.

Molecular Properties

Compound Name(7-bromo-2-oxoquinolin-1-yl)methyl acetate
PubChem CID141275996
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name(7-bromo-2-oxoquinolin-1-yl)methyl acetate
SMILESCC(=O)OCn1c(=O)ccc2ccc(Br)cc21
InChIInChI=1S/C12H10BrNO3/c1-8(15)17-7-14-11-6-10(13)4-2-9(11)3-5-12(14)16/h2-6H,7H2,1H3
InChIKeyMDGHNCUTGFBXBC-UHFFFAOYSA-N
XLogP2.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-2-oxoquinolin-1-yl)acetamide
CID 46830041
2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
CID 115072292
1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
CID 107507742
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
tert-butyl 3-(6-bromo-2-oxoquinolin-1-yl)-2-methyl-3-phenylprop-2-enoate
CID 168873498
4-acetyl-6-bromo-1-ethylquinolin-2-one
CID 134910530
ethyl 6-bromo-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 1484098
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
6-bromo-2-(2-ethoxy-2-oxoethyl)indole-1-carboxylic acid
CID 170350589
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-oxoquinolin-1-yl)methyl acetate?
The IUPAC name of (7-bromo-2-oxoquinolin-1-yl)methyl acetate (CID 141275996) is (7-bromo-2-oxoquinolin-1-yl)methyl acetate.
What is the SMILES notation for (7-bromo-2-oxoquinolin-1-yl)methyl acetate?
The canonical SMILES for (7-bromo-2-oxoquinolin-1-yl)methyl acetate is CC(=O)OCn1c(=O)ccc2ccc(Br)cc21.
What is the InChIKey of (7-bromo-2-oxoquinolin-1-yl)methyl acetate?
The InChIKey is MDGHNCUTGFBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-8(15)17-7-14-11-6-10(13)4-2-9(11)3-5-12(14)16/h2-6H,7H2,1H3.
What are the key properties of (7-bromo-2-oxoquinolin-1-yl)methyl acetate?
(7-bromo-2-oxoquinolin-1-yl)methyl acetate has a molecular weight of 296.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-oxoquinolin-1-yl)methyl acetate is sourced from PubChem (CID 141275996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).