3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol

C17H24N2O2 — CID 106348826

IUPAC3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cccc2ccc(CNC(CCO)C(C)C)nc12
InChIInChI=1S/C17H24N2O2/c1-12(2)15(9-10-20)18-11-14-8-7-13-5-4-6-16(21-3)17(13)19-14/h4-8,12,15,18,20H,9-11H2,1-3H3
InChIKeyDGRRHKJUHYHDRJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds7

About 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol

3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 106348826) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
PubChem CID106348826
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cccc2ccc(CNC(CCO)C(C)C)nc12
InChIInChI=1S/C17H24N2O2/c1-12(2)15(9-10-20)18-11-14-8-7-13-5-4-6-16(21-3)17(13)19-14/h4-8,12,15,18,20H,9-11H2,1-3H3
InChIKeyDGRRHKJUHYHDRJ-UHFFFAOYSA-N
XLogP2.74
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]pentan-2-amine
CID 80703162
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol (CID 106348826) is 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol is COc1cccc2ccc(CNC(CCO)C(C)C)nc12.
What is the InChIKey of 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is DGRRHKJUHYHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)15(9-10-20)18-11-14-8-7-13-5-4-6-16(21-3)17(13)19-14/h4-8,12,15,18,20H,9-11H2,1-3H3.
What are the key properties of 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol?
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).