3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

C18H19FN2O5 — CID 119209828

IUPAC3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC1CCCO1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H19FN2O5/c19-11-3-4-13-14(9-16(22)20-15(13)8-11)18(25)21(6-5-17(23)24)10-12-2-1-7-26-12/h3-4,8-9,12H,1-2,5-7,10H2,(H,20,22)(H,23,24)
InChIKeyODWFDFLYKYKHRQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.76
Rot. Bonds6

About 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 119209828) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID119209828
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC1CCCO1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C18H19FN2O5/c19-11-3-4-13-14(9-16(22)20-15(13)8-11)18(25)21(6-5-17(23)24)10-12-2-1-7-26-12/h3-4,8-9,12H,1-2,5-7,10H2,(H,20,22)(H,23,24)
InChIKeyODWFDFLYKYKHRQ-UHFFFAOYSA-N
XLogP1.76
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid with MolForge

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Related Compounds

7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209718
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
CID 132971426
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97451974
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 71980215
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (CID 119209828) is 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is O=C(O)CCN(CC1CCCO1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is ODWFDFLYKYKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c19-11-3-4-13-14(9-16(22)20-15(13)8-11)18(25)21(6-5-17(23)24)10-12-2-1-7-26-12/h3-4,8-9,12H,1-2,5-7,10H2,(H,20,22)(H,23,24).
What are the key properties of 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 362.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 119209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).