3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid

C14H15FN2O3 — CID 122060920

IUPAC3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(NCC(C)(O)C(=O)O)c2cccc(F)c2n1
InChIInChI=1S/C14H15FN2O3/c1-8-6-11(16-7-14(2,20)13(18)19)9-4-3-5-10(15)12(9)17-8/h3-6,20H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQEBFLWGTVXBMJK-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.93
Rot. Bonds4

About 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122060920) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122060920
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(NCC(C)(O)C(=O)O)c2cccc(F)c2n1
InChIInChI=1S/C14H15FN2O3/c1-8-6-11(16-7-14(2,20)13(18)19)9-4-3-5-10(15)12(9)17-8/h3-6,20H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQEBFLWGTVXBMJK-UHFFFAOYSA-N
XLogP1.93
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 133394254
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
8-fluoro-2-methyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinolin-4-amine
CID 133368296
3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
CID 133368901
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041
N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489287
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
1-[3-[(8-fluoro-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133369306
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133394132
8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
CID 133394032

Frequently Asked Questions

What is the IUPAC name of 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid (CID 122060920) is 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid is Cc1cc(NCC(C)(O)C(=O)O)c2cccc(F)c2n1.
What is the InChIKey of 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is QEBFLWGTVXBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-6-11(16-7-14(2,20)13(18)19)9-4-3-5-10(15)12(9)17-8/h3-6,20H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 278.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).