(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C22H25N3O2 — CID 134711012

IUPAC(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCOc1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cn1
InChIInChI=1S/C22H25N3O2/c1-2-27-22-8-7-16(12-24-22)13-25-14-18(21(26)15-25)11-17-9-10-23-20-6-4-3-5-19(17)20/h3-10,12,18,21,26H,2,11,13-15H2,1H3/t18-,21+/m1/s1
InChIKeyAABYQQCHHCWJRA-NQIIRXRSSA-N
MW363.46 g/mol
LogP3.06
Rot. Bonds6

About (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134711012) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134711012
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCOc1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cn1
InChIInChI=1S/C22H25N3O2/c1-2-27-22-8-7-16(12-24-22)13-25-14-18(21(26)15-25)11-17-9-10-23-20-6-4-3-5-19(17)20/h3-10,12,18,21,26H,2,11,13-15H2,1H3/t18-,21+/m1/s1
InChIKeyAABYQQCHHCWJRA-NQIIRXRSSA-N
XLogP3.06
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446
(3S,4R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135098380
(3S,4R)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155500849
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135109527
(3S,4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 77081255
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
(3S,4R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135099612
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134711012) is (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is CCOc1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cn1.
What is the InChIKey of (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is AABYQQCHHCWJRA-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-27-22-8-7-16(12-24-22)13-25-14-18(21(26)15-25)11-17-9-10-23-20-6-4-3-5-19(17)20/h3-10,12,18,21,26H,2,11,13-15H2,1H3/t18-,21+/m1/s1.
What are the key properties of (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 363.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134711012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).