[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C24H28N2O2 — CID 72895024

IUPAC[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCCOc1ccc2nc(CN3CCC(Cc4ccc(CO)cc4)C3)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-2-28-23-9-10-24-21(14-23)7-8-22(25-24)16-26-12-11-20(15-26)13-18-3-5-19(17-27)6-4-18/h3-10,14,20,27H,2,11-13,15-17H2,1H3
InChIKeyRDOYIFRVDHMGHG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.19
Rot. Bonds7

About [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 72895024) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID72895024
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCCOc1ccc2nc(CN3CCC(Cc4ccc(CO)cc4)C3)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-2-28-23-9-10-24-21(14-23)7-8-22(25-24)16-26-12-11-20(15-26)13-18-3-5-19(17-27)6-4-18/h3-10,14,20,27H,2,11-13,15-17H2,1H3
InChIKeyRDOYIFRVDHMGHG-UHFFFAOYSA-N
XLogP4.19
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 72895024) is [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is CCOc1ccc2nc(CN3CCC(Cc4ccc(CO)cc4)C3)ccc2c1.
What is the InChIKey of [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is RDOYIFRVDHMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-28-23-9-10-24-21(14-23)7-8-22(25-24)16-26-12-11-20(15-26)13-18-3-5-19(17-27)6-4-18/h3-10,14,20,27H,2,11-13,15-17H2,1H3.
What are the key properties of [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 376.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 72895024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).