4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

C27H24FN3O3 — CID 55979035

IUPAC4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1
InChIInChI=1S/C27H24FN3O3/c28-20-13-11-18(12-14-20)26(33)29-23-8-2-9-24-22(23)7-3-16-31(24)27(34)19-5-1-6-21(17-19)30-15-4-10-25(30)32/h1-2,5-6,8-9,11-14,17H,3-4,7,10,15-16H2,(H,29,33)
InChIKeySMGWHEUKBIJSCZ-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.80
Rot. Bonds4

About 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (PubChem CID 55979035) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
PubChem CID55979035
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1
InChIInChI=1S/C27H24FN3O3/c28-20-13-11-18(12-14-20)26(33)29-23-8-2-9-24-22(23)7-3-16-31(24)27(34)19-5-1-6-21(17-19)30-15-4-10-25(30)32/h1-2,5-6,8-9,11-14,17H,3-4,7,10,15-16H2,(H,29,33)
InChIKeySMGWHEUKBIJSCZ-UHFFFAOYSA-N
XLogP4.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (CID 55979035) is 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The InChIKey is SMGWHEUKBIJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c28-20-13-11-18(12-14-20)26(33)29-23-8-2-9-24-22(23)7-3-16-31(24)27(34)19-5-1-6-21(17-19)30-15-4-10-25(30)32/h1-2,5-6,8-9,11-14,17H,3-4,7,10,15-16H2,(H,29,33).
What are the key properties of 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is sourced from PubChem (CID 55979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).