3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid

C15H13FN2O4 — CID 120532730

IUPAC3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(F)cc2cccnc12
InChIInChI=1S/C15H13FN2O4/c16-10-6-9-2-1-4-17-12(9)11(7-10)13(19)18-15(14(20)21)3-5-22-8-15/h1-2,4,6-7H,3,5,8H2,(H,18,19)(H,20,21)
InChIKeySAMWLAISMQFRSC-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.35
Rot. Bonds3

About 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid

3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 120532730) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID120532730
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(F)cc2cccnc12
InChIInChI=1S/C15H13FN2O4/c16-10-6-9-2-1-4-17-12(9)11(7-10)13(19)18-15(14(20)21)3-5-22-8-15/h1-2,4,6-7H,3,5,8H2,(H,18,19)(H,20,21)
InChIKeySAMWLAISMQFRSC-UHFFFAOYSA-N
XLogP1.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
CID 104614138
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
3-[(4-fluoro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 113352905
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[(4-chloro-2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82783105
4-[(2-methylsulfanylpyridine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 115291465
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532728
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
3-[(2-fluoro-5-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889965

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid (CID 120532730) is 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cc(F)cc2cccnc12.
What is the InChIKey of 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SAMWLAISMQFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-10-6-9-2-1-4-17-12(9)11(7-10)13(19)18-15(14(20)21)3-5-22-8-15/h1-2,4,6-7H,3,5,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).