5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol

C16H22N2O2 — CID 107316801

IUPAC5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
SMILESCOc1cccc2ccc(CNCCCCCO)nc12
InChIInChI=1S/C16H22N2O2/c1-20-15-7-5-6-13-8-9-14(18-16(13)15)12-17-10-3-2-4-11-19/h5-9,17,19H,2-4,10-12H2,1H3
InChIKeyJBZSQMXRDNJKAR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds8

About 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol

5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol (PubChem CID 107316801) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
PubChem CID107316801
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
SMILESCOc1cccc2ccc(CNCCCCCO)nc12
InChIInChI=1S/C16H22N2O2/c1-20-15-7-5-6-13-8-9-14(18-16(13)15)12-17-10-3-2-4-11-19/h5-9,17,19H,2-4,10-12H2,1H3
InChIKeyJBZSQMXRDNJKAR-UHFFFAOYSA-N
XLogP2.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106395260
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol (CID 107316801) is 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol is COc1cccc2ccc(CNCCCCCO)nc12.
What is the InChIKey of 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol?
The InChIKey is JBZSQMXRDNJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-7-5-6-13-8-9-14(18-16(13)15)12-17-10-3-2-4-11-19/h5-9,17,19H,2-4,10-12H2,1H3.
What are the key properties of 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol?
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107316801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).