2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine

C16H22N2O2 — CID 81231645

IUPAC2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
SMILESCCOC(OCC)C(NC)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2O2/c1-4-19-16(20-5-2)15(17-3)13-9-8-12-7-6-10-18-14(12)11-13/h6-11,15-17H,4-5H2,1-3H3
InChIKeyQVFMCWKUOYGIIO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.89
Rot. Bonds7

About 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine

2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine (PubChem CID 81231645) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
PubChem CID81231645
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
SMILESCCOC(OCC)C(NC)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2O2/c1-4-19-16(20-5-2)15(17-3)13-9-8-12-7-6-10-18-14(12)11-13/h6-11,15-17H,4-5H2,1-3H3
InChIKeyQVFMCWKUOYGIIO-UHFFFAOYSA-N
XLogP2.89
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
2-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 81231185
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
(2-ethoxy-3-methyl-1-quinolin-7-ylbutyl)hydrazine
CID 105272354
2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
CID 116725636
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
3-methoxy-N-methyl-1-quinolin-7-ylbutan-1-amine
CID 113391406
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
(2-ethoxy-2-methyl-1-quinolin-7-ylpropyl)hydrazine
CID 105274011

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine?
The IUPAC name of 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine (CID 81231645) is 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine?
The canonical SMILES for 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine is CCOC(OCC)C(NC)c1ccc2cccnc2c1.
What is the InChIKey of 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine?
The InChIKey is QVFMCWKUOYGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-19-16(20-5-2)15(17-3)13-9-8-12-7-6-10-18-14(12)11-13/h6-11,15-17H,4-5H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine?
2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81231645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).