2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C22H33N3O2 — CID 45242441

IUPAC2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(CCC(C)C)C(CCO)C3)nc12
InChIInChI=1S/C22H33N3O2/c1-17(2)9-11-25-13-12-24(16-20(25)10-14-26)15-19-8-7-18-5-4-6-21(27-3)22(18)23-19/h4-8,17,20,26H,9-16H2,1-3H3
InChIKeyMDICFCWULRNMDB-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45242441) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45242441
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(CCC(C)C)C(CCO)C3)nc12
InChIInChI=1S/C22H33N3O2/c1-17(2)9-11-25-13-12-24(16-20(25)10-14-26)15-19-8-7-18-5-4-6-21(27-3)22(18)23-19/h4-8,17,20,26H,9-16H2,1-3H3
InChIKeyMDICFCWULRNMDB-UHFFFAOYSA-N
XLogP3.16
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45206179
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45204394
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 93233357
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 29029320
2-[(2S)-1-(3-methylbutyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
CID 30722484
2-[1-(3-methylbutyl)-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45175451
2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45190210
2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 56916123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45242441) is 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is COc1cccc2ccc(CN3CCN(CCC(C)C)C(CCO)C3)nc12.
What is the InChIKey of 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is MDICFCWULRNMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17(2)9-11-25-13-12-24(16-20(25)10-14-26)15-19-8-7-18-5-4-6-21(27-3)22(18)23-19/h4-8,17,20,26H,9-16H2,1-3H3.
What are the key properties of 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 371.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45242441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).