3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline

C18H21NO3 — CID 90348340

IUPAC3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline
SMILESCCCC(C#Cc1c(OC)cnc2ccc(OC)cc12)OC
InChIInChI=1S/C18H21NO3/c1-5-6-13(20-2)7-9-15-16-11-14(21-3)8-10-17(16)19-12-18(15)22-4/h8,10-13H,5-6H2,1-4H3
InChIKeyIKBKWYAZQTUOSQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.42
Rot. Bonds5

About 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline

3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline (PubChem CID 90348340) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline.

Molecular Properties

Compound Name3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline
PubChem CID90348340
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline
SMILESCCCC(C#Cc1c(OC)cnc2ccc(OC)cc12)OC
InChIInChI=1S/C18H21NO3/c1-5-6-13(20-2)7-9-15-16-11-14(21-3)8-10-17(16)19-12-18(15)22-4/h8,10-13H,5-6H2,1-4H3
InChIKeyIKBKWYAZQTUOSQ-UHFFFAOYSA-N
XLogP3.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline
CID 143875870
3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
CID 176958580
4-amino-6-methoxyquinolin-3-ol
CID 84662489
4-(hydroxymethyl)-6-methoxyquinolin-3-ol
CID 67246471
4,6-dimethoxycinnoline
CID 134989956
butane;7-methoxy-1H-quinoxalin-2-one
CID 143376014
2-[5,8-dimethoxy-3-(4-methoxyphenyl)quinolin-4-yl]oxypentanenitrile
CID 18771418
3-[2-[2-(diethylamino)-5-methoxyindazol-3-yl]ethynyl]-N,N-diethyl-5-methoxyindazol-2-amine
CID 101400139
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine
CID 70960929
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline?
The IUPAC name of 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline (CID 90348340) is 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline.
What is the SMILES notation for 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline?
The canonical SMILES for 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline is CCCC(C#Cc1c(OC)cnc2ccc(OC)cc12)OC.
What is the InChIKey of 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline?
The InChIKey is IKBKWYAZQTUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-6-13(20-2)7-9-15-16-11-14(21-3)8-10-17(16)19-12-18(15)22-4/h8,10-13H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline?
3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline has a molecular weight of 299.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline is sourced from PubChem (CID 90348340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).