methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate

C18H14BrNO3 — CID 121351499

IUPACmethyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H14BrNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3
InChIKeyXXSIQLAHNKBQIJ-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.36
Rot. Bonds4

About methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate

methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate (PubChem CID 121351499) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
PubChem CID121351499
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Namemethyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H14BrNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3
InChIKeyXXSIQLAHNKBQIJ-UHFFFAOYSA-N
XLogP4.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
methyl 5-[(E)-2-(5-bromo-2-phenylmethoxyphenyl)ethenyl]pyrazine-2-carboxylate
CID 18973812
6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
CID 102152725
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate
CID 157317010

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate (CID 121351499) is methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is XXSIQLAHNKBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-22-18(21)16-10-17(23-11-12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-16/h2-10H,11H2,1H3.
What are the key properties of methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate?
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 372.22 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 121351499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).