(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide

C24H27N3O3 — CID 140764114

IUPAC(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide
SMILESCNC(=O)C(Oc1ccc2ccccc2n1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-25-24(29)23(30-22-12-11-18-9-5-6-10-21(18)26-22)20(17-7-3-2-4-8-17)16-27-14-13-19(28)15-27/h2-12,19-20,23,28H,13-16H2,1H3,(H,25,29)/t19-,20+,23?/m0/s1
InChIKeyRDYGEYXHIRBIJZ-RCCQNZRSSA-N
MW405.50 g/mol
LogP2.58
Rot. Bonds7

About (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide (PubChem CID 140764114) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide.

Molecular Properties

Compound Name(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide
PubChem CID140764114
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide
SMILESCNC(=O)C(Oc1ccc2ccccc2n1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-25-24(29)23(30-22-12-11-18-9-5-6-10-21(18)26-22)20(17-7-3-2-4-8-17)16-27-14-13-19(28)15-27/h2-12,19-20,23,28H,13-16H2,1H3,(H,25,29)/t19-,20+,23?/m0/s1
InChIKeyRDYGEYXHIRBIJZ-RCCQNZRSSA-N
XLogP2.58
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide
CID 140764119
(3S)-2-[3-(dimethylsulfamoyl)quinolin-2-yl]oxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-3-phenylbutanamide
CID 140764076
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-3H-1,3-benzothiazol-5-yl)-3-phenylbutanamide
CID 140763266
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
CID 68537889
2-(3,4-dichlorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N'-methylacetohydrazide
CID 139788084
acetyl-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methyl-(methylcarbamoyl)azanium;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19746466
2-(2-aminophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;dihydrochloride
CID 22941425
4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N,N-dimethylbenzamide
CID 57208985
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide?
The IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide (CID 140764114) is (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide.
What is the SMILES notation for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide?
The canonical SMILES for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide is CNC(=O)C(Oc1ccc2ccccc2n1)[C@H](CN1CC[C@H](O)C1)c1ccccc1.
What is the InChIKey of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide?
The InChIKey is RDYGEYXHIRBIJZ-RCCQNZRSSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-25-24(29)23(30-22-12-11-18-9-5-6-10-21(18)26-22)20(17-7-3-2-4-8-17)16-27-14-13-19(28)15-27/h2-12,19-20,23,28H,13-16H2,1H3,(H,25,29)/t19-,20+,23?/m0/s1.
What are the key properties of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide?
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide has a molecular weight of 405.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-2-yloxybutanamide is sourced from PubChem (CID 140764114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).