N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C20H20FN3O2 — CID 7215552

IUPACN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-15-7-3-8-17(11-15)24-13-16(12-19(24)25)22-20(26)23-10-4-6-14-5-1-2-9-18(14)23/h1-3,5,7-9,11,16H,4,6,10,12-13H2,(H,22,26)/t16-/m1/s1
InChIKeyVERZLAQQNMOQJE-MRXNPFEDSA-N
MW353.40 g/mol
LogP3.09
Rot. Bonds2

About N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 7215552) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID7215552
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-15-7-3-8-17(11-15)24-13-16(12-19(24)25)22-20(26)23-10-4-6-14-5-1-2-9-18(14)23/h1-3,5,7-9,11,16H,4,6,10,12-13H2,(H,22,26)/t16-/m1/s1
InChIKeyVERZLAQQNMOQJE-MRXNPFEDSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 16812475
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7244312
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7215206
(2R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7547287
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
4-(2-fluorophenyl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162501
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7543396
(3S,5R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7546893
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 7215552) is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C1C[C@@H](NC(=O)N2CCCc3ccccc32)CN1c1cccc(F)c1.
What is the InChIKey of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is VERZLAQQNMOQJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-7-3-8-17(11-15)24-13-16(12-19(24)25)22-20(26)23-10-4-6-14-5-1-2-9-18(14)23/h1-3,5,7-9,11,16H,4,6,10,12-13H2,(H,22,26)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 7215552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).