1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone

C21H30N2O3 — CID 129491606

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone
SMILESC[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H30N2O3/c1-21(25)10-13-26-15-17(21)19-9-5-11-22(19)14-20(24)23-12-4-7-16-6-2-3-8-18(16)23/h2-3,6,8,17,19,25H,4-5,7,9-15H2,1H3/t17-,19+,21-/m0/s1
InChIKeyGOXCJYAVFICMND-DSKINZAPSA-N
MW358.48 g/mol
LogP2.22
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 129491606) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID129491606
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone
SMILESC[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H30N2O3/c1-21(25)10-13-26-15-17(21)19-9-5-11-22(19)14-20(24)23-12-4-7-16-6-2-3-8-18(16)23/h2-3,6,8,17,19,25H,4-5,7,9-15H2,1H3/t17-,19+,21-/m0/s1
InChIKeyGOXCJYAVFICMND-DSKINZAPSA-N
XLogP2.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129491201
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 52536635
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
(3aR,8aR)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-5-one
CID 110136790
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 128975592
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone (CID 129491606) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone is C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is GOXCJYAVFICMND-DSKINZAPSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-21(25)10-13-26-15-17(21)19-9-5-11-22(19)14-20(24)23-12-4-7-16-6-2-3-8-18(16)23/h2-3,6,8,17,19,25H,4-5,7,9-15H2,1H3/t17-,19+,21-/m0/s1.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 358.48 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129491606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).