2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid

C15H15FN2O4 — CID 120516190

IUPAC2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C15H15FN2O4/c1-22-6-5-18(9-13(19)20)15(21)12-8-11(16)7-10-3-2-4-17-14(10)12/h2-4,7-8H,5-6,9H2,1H3,(H,19,20)
InChIKeyAKCDHFNZKZSWAM-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.55
Rot. Bonds6

About 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 120516190) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID120516190
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(F)cc2cccnc12
InChIInChI=1S/C15H15FN2O4/c1-22-6-5-18(9-13(19)20)15(21)12-8-11(16)7-10-3-2-4-17-14(10)12/h2-4,7-8H,5-6,9H2,1H3,(H,19,20)
InChIKeyAKCDHFNZKZSWAM-UHFFFAOYSA-N
XLogP1.55
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 120516190) is 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(F)cc2cccnc12.
What is the InChIKey of 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AKCDHFNZKZSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-22-6-5-18(9-13(19)20)15(21)12-8-11(16)7-10-3-2-4-17-14(10)12/h2-4,7-8H,5-6,9H2,1H3,(H,19,20).
What are the key properties of 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 306.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 120516190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).