3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid

C16H15FN2O4 — CID 119258324

IUPAC3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1c(=O)cc(C(=O)N2CCC(F)(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C16H15FN2O4/c1-18-12-5-3-2-4-10(12)11(8-13(18)20)14(21)19-7-6-16(17,9-19)15(22)23/h2-5,8H,6-7,9H2,1H3,(H,22,23)
InChIKeyAAKPFKZLZZHAHF-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.18
Rot. Bonds2

About 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258324) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258324
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1c(=O)cc(C(=O)N2CCC(F)(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C16H15FN2O4/c1-18-12-5-3-2-4-10(12)11(8-13(18)20)14(21)19-7-6-16(17,9-19)15(22)23/h2-5,8H,6-7,9H2,1H3,(H,22,23)
InChIKeyAAKPFKZLZZHAHF-UHFFFAOYSA-N
XLogP1.18
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-(1-benzofuran-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259234
3-fluoro-1-(isoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529797
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258547
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
1-(2-chloro-4,5-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 120529626
(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 129470416

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258324) is 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid is Cn1c(=O)cc(C(=O)N2CCC(F)(C(=O)O)C2)c2ccccc21.
What is the InChIKey of 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AAKPFKZLZZHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-18-12-5-3-2-4-10(12)11(8-13(18)20)14(21)19-7-6-16(17,9-19)15(22)23/h2-5,8H,6-7,9H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).