N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine

C17H24N2O2 — CID 80701789

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCOc1cccc2ccc(CNCCCOC(C)C)nc12
InChIInChI=1S/C17H24N2O2/c1-13(2)21-11-5-10-18-12-15-9-8-14-6-4-7-16(20-3)17(14)19-15/h4,6-9,13,18H,5,10-12H2,1-3H3
InChIKeyOCVWHYLHVVIMEB-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.15
Rot. Bonds8

About N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 80701789) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID80701789
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCOc1cccc2ccc(CNCCCOC(C)C)nc12
InChIInChI=1S/C17H24N2O2/c1-13(2)21-11-5-10-18-12-15-9-8-14-6-4-7-16(20-3)17(14)19-15/h4,6-9,13,18H,5,10-12H2,1-3H3
InChIKeyOCVWHYLHVVIMEB-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
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
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106395260
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
1-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]pentan-2-amine
CID 80703162

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine (CID 80701789) is N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine is COc1cccc2ccc(CNCCCOC(C)C)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is OCVWHYLHVVIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)21-11-5-10-18-12-15-9-8-14-6-4-7-16(20-3)17(14)19-15/h4,6-9,13,18H,5,10-12H2,1-3H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 80701789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).