2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C22H21N3O3 — CID 92636929

IUPAC2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C22H21N3O3/c23-22(27)18-12-20(24-19-9-5-4-8-17(18)19)15-10-11-25(13-15)21(26)14-28-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,23,27)/t15-/m1/s1
InChIKeySYWUQABIPQLHMX-OAHLLOKOSA-N
MW375.43 g/mol
LogP2.73
Rot. Bonds5

About 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide

2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92636929) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92636929
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C22H21N3O3/c23-22(27)18-12-20(24-19-9-5-4-8-17(18)19)15-10-11-25(13-15)21(26)14-28-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,23,27)/t15-/m1/s1
InChIKeySYWUQABIPQLHMX-OAHLLOKOSA-N
XLogP2.73
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
2-[1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251475
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92636941
2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251401

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92636929) is 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide is NC(=O)c1cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is SYWUQABIPQLHMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N3O3/c23-22(27)18-12-20(24-19-9-5-4-8-17(18)19)15-10-11-25(13-15)21(26)14-28-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,23,27)/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92636929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).