(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide

C24H27N3O3 — CID 140764119

IUPAC(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide
SMILESCNC(=O)C(Oc1ccc2ncccc2c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-25-24(29)23(30-20-9-10-22-18(14-20)8-5-12-26-22)21(17-6-3-2-4-7-17)16-27-13-11-19(28)15-27/h2-10,12,14,19,21,23,28H,11,13,15-16H2,1H3,(H,25,29)/t19-,21+,23?/m0/s1
InChIKeyHXJCJPATOQEVAB-ZPVUCFGCSA-N
MW405.50 g/mol
LogP2.58
Rot. Bonds7

About (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide (PubChem CID 140764119) 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-6-yloxybutanamide.

Molecular Properties

Compound Name(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide
PubChem CID140764119
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-6-yloxybutanamide
SMILESCNC(=O)C(Oc1ccc2ncccc2c1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-25-24(29)23(30-20-9-10-22-18(14-20)8-5-12-26-22)21(17-6-3-2-4-7-17)16-27-13-11-19(28)15-27/h2-10,12,14,19,21,23,28H,11,13,15-16H2,1H3,(H,25,29)/t19-,21+,23?/m0/s1
InChIKeyHXJCJPATOQEVAB-ZPVUCFGCSA-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-2-yloxybutanamide
CID 140764114
(3S)-2-[3-(dimethylsulfamoyl)quinolin-2-yl]oxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-3-phenylbutanamide
CID 140764076
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
CID 68574034
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-2-(2-oxo-3H-1,3-benzothiazol-5-yl)-3-phenylbutanamide
CID 140763266
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[6-(methanesulfonamido)quinolin-4-yl]oxy-N-methylacetamide
CID 118279531
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
ethane;quinoline-6-carboxylic acid
CID 91364452

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide?
The IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide (CID 140764119) is (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide.
What is the SMILES notation for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide?
The canonical SMILES for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide is CNC(=O)C(Oc1ccc2ncccc2c1)[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-6-yloxybutanamide?
The InChIKey is HXJCJPATOQEVAB-ZPVUCFGCSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-25-24(29)23(30-20-9-10-22-18(14-20)8-5-12-26-22)21(17-6-3-2-4-7-17)16-27-13-11-19(28)15-27/h2-10,12,14,19,21,23,28H,11,13,15-16H2,1H3,(H,25,29)/t19-,21+,23?/m0/s1.
What are the key properties of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-yloxybutanamide?
(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-phenyl-2-quinolin-6-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-6-yloxybutanamide is sourced from PubChem (CID 140764119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).