(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol

C24H30N2O2 — CID 155551816

IUPAC(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCCC3)cc12
InChIInChI=1S/C24H30N2O2/c1-2-16-15-26-12-10-17(16)13-23(26)24(27)20-9-11-25-22-8-7-19(14-21(20)22)28-18-5-3-4-6-18/h2,7-9,11,14,17-18,23-24,27H,3-6,10,12-13,15H2,1H3/t17-,23-,24+/m0/s1
InChIKeySWQLYYXPDDQWMR-YRUKQIKQSA-N
MW378.52 g/mol
LogP4.63
Rot. Bonds4

About (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol

(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 155551816) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID155551816
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCCC3)cc12
InChIInChI=1S/C24H30N2O2/c1-2-16-15-26-12-10-17(16)13-23(26)24(27)20-9-11-25-22-8-7-19(14-21(20)22)28-18-5-3-4-6-18/h2,7-9,11,14,17-18,23-24,27H,3-6,10,12-13,15H2,1H3/t17-,23-,24+/m0/s1
InChIKeySWQLYYXPDDQWMR-YRUKQIKQSA-N
XLogP4.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-prop-2-enoxyquinolin-4-yl)methanol
CID 155518227
4-[[(5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
CID 5475015
1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol
CID 132545018
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23349358
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride;hydrate
CID 51371363
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;trihydrate
CID 68846656
(S)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol tetrafluoroborate
CID 87128931
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrate;dihydrochloride
CID 18530348

Frequently Asked Questions

What is the IUPAC name of (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 155551816) is (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol is CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC3CCCC3)cc12.
What is the InChIKey of (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is SWQLYYXPDDQWMR-YRUKQIKQSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-16-15-26-12-10-17(16)13-23(26)24(27)20-9-11-25-22-8-7-19(14-21(20)22)28-18-5-3-4-6-18/h2,7-9,11,14,17-18,23-24,27H,3-6,10,12-13,15H2,1H3/t17-,23-,24+/m0/s1.
What are the key properties of (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol?
(R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 378.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-cyclopentyloxyquinolin-4-yl)-[(2S,4S)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 155551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).