methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate

C13H12BrNO4 — CID 102614409

IUPACmethyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Br
InChIInChI=1S/C13H12BrNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3
InChIKeyCKAQNKPXDAHDFO-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.80
Rot. Bonds3

About methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate

methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate (PubChem CID 102614409) has the molecular formula C13H12BrNO4 and a molecular weight of 326.15 g/mol. Its IUPAC name is methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
PubChem CID102614409
Molecular FormulaC13H12BrNO4
Molecular Weight326.15 g/mol
Exact Mass324.99
IUPAC Namemethyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Br
InChIInChI=1S/C13H12BrNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3
InChIKeyCKAQNKPXDAHDFO-UHFFFAOYSA-N
XLogP2.80
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 4-bromo-6-iodoquinoline-3-carboxylate
CID 102614458
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 4-bromo-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 102614396
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525533
methyl 2,4-dibromo-3,5-dimethoxybenzoate
CID 165356918
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060908
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate (CID 102614409) is methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate is COC(=O)c1cnc2cc(OC)c(OC)cc2c1Br.
What is the InChIKey of methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate?
The InChIKey is CKAQNKPXDAHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3.
What are the key properties of methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate?
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate has a molecular weight of 326.15 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).