2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid

C15H17FN2O3 — CID 110432764

IUPAC2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCOCCNc1c(CC(=O)O)c(C)nc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O3/c1-9-11(8-14(19)20)15(17-5-6-21-2)12-7-10(16)3-4-13(12)18-9/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAKUBHAVYYRDJMO-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.37
Rot. Bonds6

About 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid

2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid (PubChem CID 110432764) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
PubChem CID110432764
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCOCCNc1c(CC(=O)O)c(C)nc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O3/c1-9-11(8-14(19)20)15(17-5-6-21-2)12-7-10(16)3-4-13(12)18-9/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAKUBHAVYYRDJMO-UHFFFAOYSA-N
XLogP2.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
CID 110435547
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434094
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
CID 110434146
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432865
methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434100

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid (CID 110432764) is 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid is COCCNc1c(CC(=O)O)c(C)nc2ccc(F)cc12.
What is the InChIKey of 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is AKUBHAVYYRDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9-11(8-14(19)20)15(17-5-6-21-2)12-7-10(16)3-4-13(12)18-9/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid?
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 292.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110432764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).