2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid

C17H17FN2O3 — CID 120515978

IUPAC2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)O
InChIInChI=1S/C17H17FN2O3/c1-17(2,16(22)23)20-15(21)12-8-14(9-3-4-9)19-13-6-5-10(18)7-11(12)13/h5-9H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBKPKQGJMNIESB-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid

2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 120515978) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID120515978
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)O
InChIInChI=1S/C17H17FN2O3/c1-17(2,16(22)23)20-15(21)12-8-14(9-3-4-9)19-13-6-5-10(18)7-11(12)13/h5-9H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZBKPKQGJMNIESB-UHFFFAOYSA-N
XLogP2.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
CID 127367740
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119654166
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid (CID 120515978) is 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ZBKPKQGJMNIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-17(2,16(22)23)20-15(21)12-8-14(9-3-4-9)19-13-6-5-10(18)7-11(12)13/h5-9H,3-4H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 316.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120515978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).