methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate

C19H15BrFNO4 — CID 11177606

IUPACmethyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccc(Br)cc2F)c2cc(OC)ccc2n1
InChIInChI=1S/C19H15BrFNO4/c1-24-13-5-6-16-14(8-13)18(9-17(22-16)19(23)25-2)26-10-11-3-4-12(20)7-15(11)21/h3-9H,10H2,1-2H3
InChIKeyVDVSYMWYBVXJKW-UHFFFAOYSA-N
MW420.23 g/mol
LogP4.51
Rot. Bonds5

About methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate

methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate (PubChem CID 11177606) has the molecular formula C19H15BrFNO4 and a molecular weight of 420.23 g/mol. Its IUPAC name is methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate
PubChem CID11177606
Molecular FormulaC19H15BrFNO4
Molecular Weight420.23 g/mol
Exact Mass419.02
IUPAC Namemethyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccc(Br)cc2F)c2cc(OC)ccc2n1
InChIInChI=1S/C19H15BrFNO4/c1-24-13-5-6-16-14(8-13)18(9-17(22-16)19(23)25-2)26-10-11-3-4-12(20)7-15(11)21/h3-9H,10H2,1-2H3
InChIKeyVDVSYMWYBVXJKW-UHFFFAOYSA-N
XLogP4.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 73602831
2-(3-Hexanoylphenoxymethyl)quinoline
CID 13560729
Methyl 3-(quinolin-2-ylmethoxy)benzoate
CID 13626863
3-(2-Quinolinylmethoxy)benzoic acid
CID 14774173
3-Methylbut-2-enyl 8-(3-methylbut-2-enoxy)-4-pentoxyquinoline-2-carboxylate
CID 74223689
Ethyl 1-ethoxy-8-methoxybenzo[f]quinoline-3-carboxylate
CID 307175
Ethyl 6-methoxy-4-(phenylselanyl)quinoline-2-carboxylate
CID 139178030
Ethyl 6-methoxy-4-(2-methylphenyl)selanylquinoline-2-carboxylate
CID 156010200
Ethyl 6-methoxy-4-naphthalen-2-ylselanylquinoline-2-carboxylate
CID 156010719
Ethyl 6-methoxy-4-phenyltellanylquinoline-2-carboxylate
CID 156014170
Ethyl 4-hex-1-ynyl-6-methoxyquinoline-2-carboxylate
CID 156015380

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate (CID 11177606) is methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate is COC(=O)c1cc(OCc2ccc(Br)cc2F)c2cc(OC)ccc2n1.
What is the InChIKey of methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate?
The InChIKey is VDVSYMWYBVXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO4/c1-24-13-5-6-16-14(8-13)18(9-17(22-16)19(23)25-2)26-10-11-3-4-12(20)7-15(11)21/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate?
methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate has a molecular weight of 420.23 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-bromo-2-fluorophenyl)methoxy]-6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 11177606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).