7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C22H22FN3O3 — CID 86996050

IUPAC7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC(CN2CCCC2=O)c2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C22H22FN3O3/c23-15-8-9-16-17(12-20(27)24-18(16)11-15)22(29)25-19(14-5-2-1-3-6-14)13-26-10-4-7-21(26)28/h1-3,5-6,8-9,11,17,19H,4,7,10,12-13H2,(H,24,27)(H,25,29)
InChIKeyFQHARRFIRADEAD-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.73
Rot. Bonds5

About 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 86996050) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID86996050
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC(CN2CCCC2=O)c2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C22H22FN3O3/c23-15-8-9-16-17(12-20(27)24-18(16)11-15)22(29)25-19(14-5-2-1-3-6-14)13-26-10-4-7-21(26)28/h1-3,5-6,8-9,11,17,19H,4,7,10,12-13H2,(H,24,27)(H,25,29)
InChIKeyFQHARRFIRADEAD-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 86996050) is 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NC(CN2CCCC2=O)c2ccccc2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is FQHARRFIRADEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-15-8-9-16-17(12-20(27)24-18(16)11-15)22(29)25-19(14-5-2-1-3-6-14)13-26-10-4-7-21(26)28/h1-3,5-6,8-9,11,17,19H,4,7,10,12-13H2,(H,24,27)(H,25,29).
What are the key properties of 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86996050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).