methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate

C17H14BrNO4 — CID 3148947

IUPACmethyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate
SMILESCOC(=O)c1c2cc(Br)ccc2nc2cc(OC)cc(OC)c12
InChIInChI=1S/C17H14BrNO4/c1-21-10-7-13-16(14(8-10)22-2)15(17(20)23-3)11-6-9(18)4-5-12(11)19-13/h4-8H,1-3H3
InChIKeyCTGXMIRNWPCHLD-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.95
Rot. Bonds3

About methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate

methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate (PubChem CID 3148947) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate
PubChem CID3148947
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Namemethyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate
SMILESCOC(=O)c1c2cc(Br)ccc2nc2cc(OC)cc(OC)c12
InChIInChI=1S/C17H14BrNO4/c1-21-10-7-13-16(14(8-10)22-2)15(17(20)23-3)11-6-9(18)4-5-12(11)19-13/h4-8H,1-3H3
InChIKeyCTGXMIRNWPCHLD-UHFFFAOYSA-N
XLogP3.95
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
methyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 3580852
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
1,3,6,8-tetramethoxyacridine
CID 175793272
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
dimethyl 6,9-dibromophenanthro[9,10-c]thiophene-1,3-dicarboxylate
CID 101406188
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate?
The IUPAC name of methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate (CID 3148947) is methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate.
What is the SMILES notation for methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate?
The canonical SMILES for methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate is COC(=O)c1c2cc(Br)ccc2nc2cc(OC)cc(OC)c12.
What is the InChIKey of methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate?
The InChIKey is CTGXMIRNWPCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-21-10-7-13-16(14(8-10)22-2)15(17(20)23-3)11-6-9(18)4-5-12(11)19-13/h4-8H,1-3H3.
What are the key properties of methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate?
methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate has a molecular weight of 376.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate is sourced from PubChem (CID 3148947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).