2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide

C25H27N3O3 — CID 92636941

IUPAC2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)C2)nc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-26-25(30)21-15-23(27-22-6-4-3-5-20(21)22)18-13-14-28(16-18)24(29)12-9-17-7-10-19(31-2)11-8-17/h3-8,10-11,15,18H,9,12-14,16H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyJSBBBPILMRRKHQ-GOSISDBHSA-N
MW417.51 g/mol
LogP3.55
Rot. Bonds6

About 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide

2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide (PubChem CID 92636941) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
PubChem CID92636941
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)C2)nc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-26-25(30)21-15-23(27-22-6-4-3-5-20(21)22)18-13-14-28(16-18)24(29)12-9-17-7-10-19(31-2)11-8-17/h3-8,10-11,15,18H,9,12-14,16H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyJSBBBPILMRRKHQ-GOSISDBHSA-N
XLogP3.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
2-[(3R)-1-[3-(N-ethyl-4-fluoroanilino)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92638550
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 127252127
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide (CID 92636941) is 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is JSBBBPILMRRKHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-26-25(30)21-15-23(27-22-6-4-3-5-20(21)22)18-13-14-28(16-18)24(29)12-9-17-7-10-19(31-2)11-8-17/h3-8,10-11,15,18H,9,12-14,16H2,1-2H3,(H,26,30)/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide?
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 92636941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).