(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide

C20H19N3O — CID 175826709

IUPAC(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(17-13-21-12-16(17)14-6-2-1-3-7-14)23-18-10-4-8-15-9-5-11-22-19(15)18/h1-11,16-17,21H,12-13H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyBPQXRNRVFJIFRF-IRXDYDNUSA-N
MW317.39 g/mol
LogP3.18
Rot. Bonds3

About (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide

(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 175826709) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID175826709
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(17-13-21-12-16(17)14-6-2-1-3-7-14)23-18-10-4-8-15-9-5-11-22-19(15)18/h1-11,16-17,21H,12-13H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyBPQXRNRVFJIFRF-IRXDYDNUSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
(3R)-N-(1-chloroisoquinolin-5-yl)-4-phenylpyrrolidine-3-carboxamide
CID 166803737
(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide
CID 158761407
tert-butyl (3R,4S)-3-phenyl-4-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 156839576
tert-butyl (3R,4R)-4-phenyl-3-(quinolin-8-ylcarbamoyl)piperidine-1-carboxylate
CID 170566687
(2R,3S)-3-(4-ethynylphenyl)-N-quinolin-8-ylazetidine-2-carboxamide
CID 176615733
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 175826709) is (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide is O=C(Nc1cccc2cccnc12)[C@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is BPQXRNRVFJIFRF-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(17-13-21-12-16(17)14-6-2-1-3-7-14)23-18-10-4-8-15-9-5-11-22-19(15)18/h1-11,16-17,21H,12-13H2,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175826709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).