(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C27H33N3O3 — CID 134699713

IUPAC(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccccc2OCCN2CCOCC2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C27H33N3O3/c31-26-20-30(19-23(26)17-21-9-10-28-25-7-3-2-6-24(21)25)18-22-5-1-4-8-27(22)33-16-13-29-11-14-32-15-12-29/h1-10,23,26,31H,11-20H2/t23-,26+/m1/s1
InChIKeyWQKWGUBFJGMUKR-BVAGGSTKSA-N
MW447.58 g/mol
LogP2.98
Rot. Bonds8

About (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134699713) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134699713
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccccc2OCCN2CCOCC2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C27H33N3O3/c31-26-20-30(19-23(26)17-21-9-10-28-25-7-3-2-6-24(21)25)18-22-5-1-4-8-27(22)33-16-13-29-11-14-32-15-12-29/h1-10,23,26,31H,11-20H2/t23-,26+/m1/s1
InChIKeyWQKWGUBFJGMUKR-BVAGGSTKSA-N
XLogP2.98
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134699713) is (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2ccccc2OCCN2CCOCC2)C[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WQKWGUBFJGMUKR-BVAGGSTKSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-26-20-30(19-23(26)17-21-9-10-28-25-7-3-2-6-24(21)25)18-22-5-1-4-8-27(22)33-16-13-29-11-14-32-15-12-29/h1-10,23,26,31H,11-20H2/t23-,26+/m1/s1.
What are the key properties of (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 447.58 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134699713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).