methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate

C19H13BrN4O3 — CID 169207373

IUPACmethyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Br)cc2n(-c2ccc3nccnc3c2)c1=O
InChIInChI=1S/C19H13BrN4O3/c1-27-19(26)16-17(21)12-4-2-10(20)8-15(12)24(18(16)25)11-3-5-13-14(9-11)23-7-6-22-13/h2-9H,21H2,1H3
InChIKeyQFHISESQSVJUKG-UHFFFAOYSA-N
MW425.24 g/mol
LogP3.07
Rot. Bonds2

About methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate

methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate (PubChem CID 169207373) has the molecular formula C19H13BrN4O3 and a molecular weight of 425.24 g/mol. Its IUPAC name is methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate
PubChem CID169207373
Molecular FormulaC19H13BrN4O3
Molecular Weight425.24 g/mol
Exact Mass424.02
IUPAC Namemethyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(Br)cc2n(-c2ccc3nccnc3c2)c1=O
InChIInChI=1S/C19H13BrN4O3/c1-27-19(26)16-17(21)12-4-2-10(20)8-15(12)24(18(16)25)11-3-5-13-14(9-11)23-7-6-22-13/h2-9H,21H2,1H3
InChIKeyQFHISESQSVJUKG-UHFFFAOYSA-N
XLogP3.07
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-7-bromo-1-(6-chloro-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 176819903
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-7-bromo-1-[6-(1-hydroxyethyl)-3-pyridinyl]-2-oxoquinoline-3-carboxylate
CID 169207167
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
methyl 4-amino-7-bromo-1-(2-methyl-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 169206986
methyl 4-amino-1-(2-aminophenyl)-7-bromo-2-oxoquinoline-3-carboxylate
CID 169207070
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
methyl 4-amino-7-bromo-1-(4-chloro-2-methylphenyl)-2-oxoquinoline-3-carboxylate
CID 169207198
methyl 4-amino-1-[6-(1-hydroxyethyl)-3-pyridinyl]-7-iodo-2-oxoquinoline-3-carboxylate
CID 169207047
methyl 4-amino-7-bromo-1-(2-methyl-4-nitrophenyl)-2-oxoquinoline-3-carboxylate
CID 169207009
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate (CID 169207373) is methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate is COC(=O)c1c(N)c2ccc(Br)cc2n(-c2ccc3nccnc3c2)c1=O.
What is the InChIKey of methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate?
The InChIKey is QFHISESQSVJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O3/c1-27-19(26)16-17(21)12-4-2-10(20)8-15(12)24(18(16)25)11-3-5-13-14(9-11)23-7-6-22-13/h2-9H,21H2,1H3.
What are the key properties of methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate?
methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate has a molecular weight of 425.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate is sourced from PubChem (CID 169207373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).