7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid

C19H17BrFNO3 — CID 123878275

IUPAC7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid
SMILESCOC1=C(C(=O)O)C(C)c2ccc(Br)cc2N1Cc1ccc(F)cc1
InChIInChI=1S/C19H17BrFNO3/c1-11-15-8-5-13(20)9-16(15)22(18(25-2)17(11)19(23)24)10-12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyHGZKBQNHDOPPPY-UHFFFAOYSA-N
MW406.25 g/mol
LogP4.65
Rot. Bonds4

About 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid

7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid (PubChem CID 123878275) has the molecular formula C19H17BrFNO3 and a molecular weight of 406.25 g/mol. Its IUPAC name is 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid
PubChem CID123878275
Molecular FormulaC19H17BrFNO3
Molecular Weight406.25 g/mol
Exact Mass405.04
IUPAC Name7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid
SMILESCOC1=C(C(=O)O)C(C)c2ccc(Br)cc2N1Cc1ccc(F)cc1
InChIInChI=1S/C19H17BrFNO3/c1-11-15-8-5-13(20)9-16(15)22(18(25-2)17(11)19(23)24)10-12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyHGZKBQNHDOPPPY-UHFFFAOYSA-N
XLogP4.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-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-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
1-benzyl-3-methyl-2-oxo-3H-indole-6-carboxylic acid
CID 151920961
6-bromo-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 94674258
N-(3-bromophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4112543
(2E,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 51666822
7-bromo-2-[(4-fluorophenyl)methyl]-5-methyl-3,4-dihydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 70660085
7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 58477873
(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425877
1-[(3S,3aS,7aR)-3-(2,4-difluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-methoxyethanone
CID 155984736

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid?
The IUPAC name of 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid (CID 123878275) is 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid is COC1=C(C(=O)O)C(C)c2ccc(Br)cc2N1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid?
The InChIKey is HGZKBQNHDOPPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFNO3/c1-11-15-8-5-13(20)9-16(15)22(18(25-2)17(11)19(23)24)10-12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid?
7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid has a molecular weight of 406.25 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid is sourced from PubChem (CID 123878275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).