methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate

C11H7BrClNO3 — CID 141490943

IUPACmethyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(Cl)cc(=O)[nH]c2c1
InChIInChI=1S/C11H7BrClNO3/c1-17-11(16)5-2-6(12)10-7(13)4-9(15)14-8(10)3-5/h2-4H,1H3,(H,14,15)
InChIKeyGSZZMHNARDVGMT-UHFFFAOYSA-N
MW316.54 g/mol
LogP2.73
Rot. Bonds1

About methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate

methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate (PubChem CID 141490943) has the molecular formula C11H7BrClNO3 and a molecular weight of 316.54 g/mol. Its IUPAC name is methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate
PubChem CID141490943
Molecular FormulaC11H7BrClNO3
Molecular Weight316.54 g/mol
Exact Mass314.93
IUPAC Namemethyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(Cl)cc(=O)[nH]c2c1
InChIInChI=1S/C11H7BrClNO3/c1-17-11(16)5-2-6(12)10-7(13)4-9(15)14-8(10)3-5/h2-4H,1H3,(H,14,15)
InChIKeyGSZZMHNARDVGMT-UHFFFAOYSA-N
XLogP2.73
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-3-ethyl-2-oxo-4-sulfanylidene-1H-quinazoline-7-carboxylate
CID 170981660
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methyl 2-(2-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
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dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
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methyl 3-bromo-5-chloro-4-(chloromethyl)benzoate
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methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
CID 24728389
methyl 3-bromo-4-chloro-5-(trifluoromethyl)benzoate
CID 170996226
methyl 3,5-dibromo-4-isocyanobenzoate
CID 139088496
methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 170899608
methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
CID 142664172
methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
CID 91686704
methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
CID 71283288

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate (CID 141490943) is methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate is COC(=O)c1cc(Br)c2c(Cl)cc(=O)[nH]c2c1.
What is the InChIKey of methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate?
The InChIKey is GSZZMHNARDVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO3/c1-17-11(16)5-2-6(12)10-7(13)4-9(15)14-8(10)3-5/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate?
methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate has a molecular weight of 316.54 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 141490943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).