(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C20H26N2O — CID 135109527

IUPAC(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCC(C)=CCCN1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1
InChIInChI=1S/C20H26N2O/c1-15(2)6-5-11-22-13-17(20(23)14-22)12-16-9-10-21-19-8-4-3-7-18(16)19/h3-4,6-10,17,20,23H,5,11-14H2,1-2H3/t17-,20-/m1/s1
InChIKeySLRYHQYRVMMGNX-YLJYHZDGSA-N
MW310.44 g/mol
LogP3.43
Rot. Bonds5

About (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135109527) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135109527
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCC(C)=CCCN1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1
InChIInChI=1S/C20H26N2O/c1-15(2)6-5-11-22-13-17(20(23)14-22)12-16-9-10-21-19-8-4-3-7-18(16)19/h3-4,6-10,17,20,23H,5,11-14H2,1-2H3/t17-,20-/m1/s1
InChIKeySLRYHQYRVMMGNX-YLJYHZDGSA-N
XLogP3.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135099612
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3S,4R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135098380
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylethanone
CID 135102977
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446
(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134699713
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 135109527) is (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is CC(C)=CCCN1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1.
What is the InChIKey of (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is SLRYHQYRVMMGNX-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)6-5-11-22-13-17(20(23)14-22)12-16-9-10-21-19-8-4-3-7-18(16)19/h3-4,6-10,17,20,23H,5,11-14H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 310.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135109527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).