N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine

C16H22N2O2 — CID 62195600

IUPACN-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1COCCCOC
InChIInChI=1S/C16H22N2O2/c1-3-17-16-14(12-20-10-6-9-19-2)11-13-7-4-5-8-15(13)18-16/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyBHMPKGDCKVNNDD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.22
Rot. Bonds8

About N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine

N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine (PubChem CID 62195600) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
PubChem CID62195600
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1COCCCOC
InChIInChI=1S/C16H22N2O2/c1-3-17-16-14(12-20-10-6-9-19-2)11-13-7-4-5-8-15(13)18-16/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyBHMPKGDCKVNNDD-UHFFFAOYSA-N
XLogP3.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine (CID 62195600) is N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1COCCCOC.
What is the InChIKey of N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine?
The InChIKey is BHMPKGDCKVNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-17-16-14(12-20-10-6-9-19-2)11-13-7-4-5-8-15(13)18-16/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine?
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine is sourced from PubChem (CID 62195600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).