3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide

C21H21N3O — CID 156839177

IUPAC3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)Nc2ccnc3ccccc23)C1
InChIInChI=1S/C21H21N3O/c1-21(16-7-3-2-4-8-16)12-14-24(15-21)20(25)23-19-11-13-22-18-10-6-5-9-17(18)19/h2-11,13H,12,14-15H2,1H3,(H,22,23,25)
InChIKeyCPZYPZDJTALXSD-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.43
Rot. Bonds2

About 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide

3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide (PubChem CID 156839177) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide
PubChem CID156839177
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)Nc2ccnc3ccccc23)C1
InChIInChI=1S/C21H21N3O/c1-21(16-7-3-2-4-8-16)12-14-24(15-21)20(25)23-19-11-13-22-18-10-6-5-9-17(18)19/h2-11,13H,12,14-15H2,1H3,(H,22,23,25)
InChIKeyCPZYPZDJTALXSD-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
CID 134712707
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
CID 103358198
N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide
CID 71170634
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
1-[[2-(tert-butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079995
(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358352

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide (CID 156839177) is 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide is CC1(c2ccccc2)CCN(C(=O)Nc2ccnc3ccccc23)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is CPZYPZDJTALXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-21(16-7-3-2-4-8-16)12-14-24(15-21)20(25)23-19-11-13-22-18-10-6-5-9-17(18)19/h2-11,13H,12,14-15H2,1H3,(H,22,23,25).
What are the key properties of 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide?
3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 156839177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).