N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine

C17H24N2O3 — CID 18353658

IUPACN-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine
SMILESCCOC(CCNc1cc(OC)c2ccccc2n1)OCC
InChIInChI=1S/C17H24N2O3/c1-4-21-17(22-5-2)10-11-18-16-12-15(20-3)13-8-6-7-9-14(13)19-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyIAAJHZBHRMAKCI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.44
Rot. Bonds9

About N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine

N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine (PubChem CID 18353658) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine
PubChem CID18353658
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine
SMILESCCOC(CCNc1cc(OC)c2ccccc2n1)OCC
InChIInChI=1S/C17H24N2O3/c1-4-21-17(22-5-2)10-11-18-16-12-15(20-3)13-8-6-7-9-14(13)19-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyIAAJHZBHRMAKCI-UHFFFAOYSA-N
XLogP3.44
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine (CID 18353658) is N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine is CCOC(CCNc1cc(OC)c2ccccc2n1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine?
The InChIKey is IAAJHZBHRMAKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-21-17(22-5-2)10-11-18-16-12-15(20-3)13-8-6-7-9-14(13)19-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine?
N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine has a molecular weight of 304.39 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine is sourced from PubChem (CID 18353658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).