5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid

C18H13BrFNO3 — CID 58763105

IUPAC5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
SMILESCOc1c(C(=O)O)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C18H13BrFNO3/c1-24-17-14(18(22)23)8-15(19)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23)
InChIKeyYCGKZCRKIOLQEP-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.43
Rot. Bonds4

About 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid

5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid (PubChem CID 58763105) has the molecular formula C18H13BrFNO3 and a molecular weight of 390.21 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
PubChem CID58763105
Molecular FormulaC18H13BrFNO3
Molecular Weight390.21 g/mol
Exact Mass389.01
IUPAC Name5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
SMILESCOc1c(C(=O)O)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C18H13BrFNO3/c1-24-17-14(18(22)23)8-15(19)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23)
InChIKeyYCGKZCRKIOLQEP-UHFFFAOYSA-N
XLogP4.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid 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-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
CID 71056445
7-(4-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5-carboxylic acid
CID 58762886
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
[5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinolin-7-yl] acetate
CID 58762964
7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5-carboxylic acid
CID 89053438
methyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate
CID 159064342
ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 58762890
5-bromo-8-methoxyquinoline-7-carboxylic acid;5,7-dibromo-8-methoxyquinoline;ethyl 3,5-bis[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;ethyl 3,5-bis[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;ethyl 5-bromo-8-methoxyquinoline-7-carboxylate;ethyl 3,5-dibromo-8-methoxyquinoline-7-carboxylate
CID 158568491
ethane;methyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate
CID 142873059
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid?
The IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid (CID 58763105) is 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid.
What is the SMILES notation for 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid?
The canonical SMILES for 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid is COc1c(C(=O)O)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12.
What is the InChIKey of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid?
The InChIKey is YCGKZCRKIOLQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO3/c1-24-17-14(18(22)23)8-15(19)13-7-11(9-21-16(13)17)6-10-2-4-12(20)5-3-10/h2-5,7-9H,6H2,1H3,(H,22,23).
What are the key properties of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid?
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid has a molecular weight of 390.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid is sourced from PubChem (CID 58763105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).