2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid

C15H17FN2O5 — CID 119347987

IUPAC2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H17FN2O5/c1-23-5-4-18(8-14(20)21)15(22)10-6-9-2-3-13(19)17-12(9)7-11(10)16/h6-7H,2-5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeySAVIBIKUKFSECW-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.88
Rot. Bonds6

About 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119347987) has the molecular formula C15H17FN2O5 and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119347987
Molecular FormulaC15H17FN2O5
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H17FN2O5/c1-23-5-4-18(8-14(20)21)15(22)10-6-9-2-3-13(19)17-12(9)7-11(10)16/h6-7H,2-5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeySAVIBIKUKFSECW-UHFFFAOYSA-N
XLogP0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119347987) is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SAVIBIKUKFSECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5/c1-23-5-4-18(8-14(20)21)15(22)10-6-9-2-3-13(19)17-12(9)7-11(10)16/h6-7H,2-5,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 324.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119347987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).