2-(3,3-diethoxypropyl)-7-methoxyquinoline

C17H23NO3 — CID 90190351

IUPAC2-(3,3-diethoxypropyl)-7-methoxyquinoline
SMILESCCOC(CCc1ccc2ccc(OC)cc2n1)OCC
InChIInChI=1S/C17H23NO3/c1-4-20-17(21-5-2)11-9-14-8-6-13-7-10-15(19-3)12-16(13)18-14/h6-8,10,12,17H,4-5,9,11H2,1-3H3
InChIKeyNBKWOUDSHUDTOO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds8

About 2-(3,3-diethoxypropyl)-7-methoxyquinoline

2-(3,3-diethoxypropyl)-7-methoxyquinoline (PubChem CID 90190351) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3,3-diethoxypropyl)-7-methoxyquinoline.

Molecular Properties

Compound Name2-(3,3-diethoxypropyl)-7-methoxyquinoline
PubChem CID90190351
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(3,3-diethoxypropyl)-7-methoxyquinoline
SMILESCCOC(CCc1ccc2ccc(OC)cc2n1)OCC
InChIInChI=1S/C17H23NO3/c1-4-20-17(21-5-2)11-9-14-8-6-13-7-10-15(19-3)12-16(13)18-14/h6-8,10,12,17H,4-5,9,11H2,1-3H3
InChIKeyNBKWOUDSHUDTOO-UHFFFAOYSA-N
XLogP3.58
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
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-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
CID 16638258
3-(6-methoxyquinolin-2-yl)-N,N-dimethylpropan-1-amine
CID 23204412
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
6-methoxy-2-[[1-phenoxy-3-(2H-tetrazol-5-yl)propoxy]methyl]quinoline
CID 70473113
7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
CID 62193913
2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
CID 164678928
2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
CID 165107263
7-methoxy-2,3-dimethylquinoline
CID 58717059

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropyl)-7-methoxyquinoline?
The IUPAC name of 2-(3,3-diethoxypropyl)-7-methoxyquinoline (CID 90190351) is 2-(3,3-diethoxypropyl)-7-methoxyquinoline.
What is the SMILES notation for 2-(3,3-diethoxypropyl)-7-methoxyquinoline?
The canonical SMILES for 2-(3,3-diethoxypropyl)-7-methoxyquinoline is CCOC(CCc1ccc2ccc(OC)cc2n1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropyl)-7-methoxyquinoline?
The InChIKey is NBKWOUDSHUDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-20-17(21-5-2)11-9-14-8-6-13-7-10-15(19-3)12-16(13)18-14/h6-8,10,12,17H,4-5,9,11H2,1-3H3.
What are the key properties of 2-(3,3-diethoxypropyl)-7-methoxyquinoline?
2-(3,3-diethoxypropyl)-7-methoxyquinoline has a molecular weight of 289.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropyl)-7-methoxyquinoline is sourced from PubChem (CID 90190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).