ethane;8-methoxy-6-methylquinoline;methyl formate

C15H21NO3 — CID 156896164

IUPACethane;8-methoxy-6-methylquinoline;methyl formate
SMILESCC.COC=O.COc1cc(C)cc2cccnc12
InChIInChI=1S/C11H11NO.C2H4O2.C2H6/c1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-4-2-3;1-2/h3-7H,1-2H3;2H,1H3;1-2H3
InChIKeyDYCPCVBOYSXQMG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.37
Rot. Bonds2

About ethane;8-methoxy-6-methylquinoline;methyl formate

ethane;8-methoxy-6-methylquinoline;methyl formate (PubChem CID 156896164) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethane;8-methoxy-6-methylquinoline;methyl formate.

Molecular Properties

Compound Nameethane;8-methoxy-6-methylquinoline;methyl formate
PubChem CID156896164
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethane;8-methoxy-6-methylquinoline;methyl formate
SMILESCC.COC=O.COc1cc(C)cc2cccnc12
InChIInChI=1S/C11H11NO.C2H4O2.C2H6/c1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-4-2-3;1-2/h3-7H,1-2H3;2H,1H3;1-2H3
InChIKeyDYCPCVBOYSXQMG-UHFFFAOYSA-N
XLogP3.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mebiquine
CID 16683098
6-ethyl-8-methoxyquinoline
CID 137438692
2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
(6-methylquinolin-8-yl) (Z)-but-2-enimidate
CID 165395659
8-methoxy-4,6-dimethylquinoline
CID 58053088
6-methylquinoline-8-sulfonyl fluoride
CID 165453594
ethane;methyl formate;naphthalene
CID 91128100
6,7-dimethoxy-8-nitroquinoline
CID 616387
8-methoxy-2,6-dimethylquinazoline
CID 143712441
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
2-methoxypyridine;methyl formate
CID 163953366

Frequently Asked Questions

What is the IUPAC name of ethane;8-methoxy-6-methylquinoline;methyl formate?
The IUPAC name of ethane;8-methoxy-6-methylquinoline;methyl formate (CID 156896164) is ethane;8-methoxy-6-methylquinoline;methyl formate.
What is the SMILES notation for ethane;8-methoxy-6-methylquinoline;methyl formate?
The canonical SMILES for ethane;8-methoxy-6-methylquinoline;methyl formate is CC.COC=O.COc1cc(C)cc2cccnc12.
What is the InChIKey of ethane;8-methoxy-6-methylquinoline;methyl formate?
The InChIKey is DYCPCVBOYSXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C2H4O2.C2H6/c1-8-6-9-4-3-5-12-11(9)10(7-8)13-2;1-4-2-3;1-2/h3-7H,1-2H3;2H,1H3;1-2H3.
What are the key properties of ethane;8-methoxy-6-methylquinoline;methyl formate?
ethane;8-methoxy-6-methylquinoline;methyl formate has a molecular weight of 263.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methoxy-6-methylquinoline;methyl formate is sourced from PubChem (CID 156896164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).