5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid

C16H18FNO3 — CID 150936100

IUPAC5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid
SMILESCOc1ccc2ncc(F)c(CCCC(C)C(=O)O)c2c1
InChIInChI=1S/C16H18FNO3/c1-10(16(19)20)4-3-5-12-13-8-11(21-2)6-7-15(13)18-9-14(12)17/h6-10H,3-5H2,1-2H3,(H,19,20)
InChIKeyLHBFKGSHSKMZED-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.43
Rot. Bonds6

About 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid

5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid (PubChem CID 150936100) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid
PubChem CID150936100
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid
SMILESCOc1ccc2ncc(F)c(CCCC(C)C(=O)O)c2c1
InChIInChI=1S/C16H18FNO3/c1-10(16(19)20)4-3-5-12-13-8-11(21-2)6-7-15(13)18-9-14(12)17/h6-10H,3-5H2,1-2H3,(H,19,20)
InChIKeyLHBFKGSHSKMZED-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic 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

2-[[3-(2,5-difluorophenyl)prop-2-enyl-methylamino]methyl]-5-(3-fluoro-6-methoxyquinolin-4-yl)pentanoic acid
CID 69309640
2-[[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-methylamino]methyl]-5-(3-fluoro-6-methoxyquinolin-4-yl)pentanoic acid
CID 11526102
(2R)-1-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-4-[3-(4-fluorophenyl)prop-2-ynyl]piperazine-2-carboxylic acid
CID 145147726
4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[(E)-3-(2,3,5-trifluorophenyl)prop-2-enyl]piperidine-4-carboxylic acid
CID 22469410
ethyl 2-[[3-(2,5-difluorophenyl)prop-2-enyl-(2-hydroxyethyl)amino]methyl]-5-(3-fluoro-6-methoxyquinolin-4-yl)pentanoate
CID 91186222
4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-propylsulfanylpropyl)piperidine-3-carboxylic acid
CID 22643876
2-[2-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidin-4-yl]acetic acid
CID 174452055
4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidine-4-carboxamide
CID 22470665
3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropanal
CID 145147650
1-[2-(3,5-difluorophenoxy)ethyl]-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-N-hydroxypiperidine-4-carboxamide
CID 22468616
4-[(3R)-3-hydroxy-3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[3-(2,4,6-trifluorophenyl)propyl]piperidine-4-carboxylic acid
CID 20798163
2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,3,5-trifluoroanilino)ethyl]piperidin-4-yl]acetic acid
CID 22470168

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid?
The IUPAC name of 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid (CID 150936100) is 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid.
What is the SMILES notation for 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid?
The canonical SMILES for 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid is COc1ccc2ncc(F)c(CCCC(C)C(=O)O)c2c1.
What is the InChIKey of 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid?
The InChIKey is LHBFKGSHSKMZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10(16(19)20)4-3-5-12-13-8-11(21-2)6-7-15(13)18-9-14(12)17/h6-10H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid?
5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid has a molecular weight of 291.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-methylpentanoic acid is sourced from PubChem (CID 150936100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).