5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide

C19H16BrFN2O2 — CID 71056445

IUPAC5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
SMILESCNC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1OC
InChIInChI=1S/C19H16BrFN2O2/c1-22-19(24)15-9-16(20)14-8-12(10-23-17(14)18(15)25-2)7-11-3-5-13(21)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,22,24)
InChIKeyFZMIICKWYMVMDX-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide

5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide (PubChem CID 71056445) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
PubChem CID71056445
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
SMILESCNC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1OC
InChIInChI=1S/C19H16BrFN2O2/c1-22-19(24)15-9-16(20)14-8-12(10-23-17(14)18(15)25-2)7-11-3-5-13(21)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,22,24)
InChIKeyFZMIICKWYMVMDX-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
CID 58763105
[5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinolin-7-yl] acetate
CID 58762964
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
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
ethane;methyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate
CID 142873059
7-(4-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5-carboxylic acid
CID 58762886
ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 58762890
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[methyl(methylcarbamoyl)amino]carbamoyl]quinoline-7-carboxylate
CID 68857767
7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5-carboxylic acid
CID 89053438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide?
The IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide (CID 71056445) is 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide.
What is the SMILES notation for 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide?
The canonical SMILES for 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide is CNC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1OC.
What is the InChIKey of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide?
The InChIKey is FZMIICKWYMVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c1-22-19(24)15-9-16(20)14-8-12(10-23-17(14)18(15)25-2)7-11-3-5-13(21)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,22,24).
What are the key properties of 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide?
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide has a molecular weight of 403.25 g/mol, XLogP of 4.10, 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-methoxy-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 71056445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).