6,7-diethoxy-1,3-dimethylisoquinoline

C15H19NO2 — CID 91665463

IUPAC6,7-diethoxy-1,3-dimethylisoquinoline
SMILESCCOc1cc2cc(C)nc(C)c2cc1OCC
InChIInChI=1S/C15H19NO2/c1-5-17-14-8-12-7-10(3)16-11(4)13(12)9-15(14)18-6-2/h7-9H,5-6H2,1-4H3
InChIKeyYDXDDKGEEVVKPN-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.65
Rot. Bonds4

About 6,7-diethoxy-1,3-dimethylisoquinoline

6,7-diethoxy-1,3-dimethylisoquinoline (PubChem CID 91665463) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6,7-diethoxy-1,3-dimethylisoquinoline.

Molecular Properties

Compound Name6,7-diethoxy-1,3-dimethylisoquinoline
PubChem CID91665463
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6,7-diethoxy-1,3-dimethylisoquinoline
SMILESCCOc1cc2cc(C)nc(C)c2cc1OCC
InChIInChI=1S/C15H19NO2/c1-5-17-14-8-12-7-10(3)16-11(4)13(12)9-15(14)18-6-2/h7-9H,5-6H2,1-4H3
InChIKeyYDXDDKGEEVVKPN-UHFFFAOYSA-N
XLogP3.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 62251130
CID 90466530
CID 90466530
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 58336216
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106
4-bromo-2-ethoxy-6-methylpyrimidine
CID 115029853
7,9-dimethylpyrido[4,3-g]quinoline
CID 118895211
ethane;4-ethyl-3-methoxy-2,6-dimethylpyridine
CID 144795735
(7-ethoxy-2,3-dimethylquinoxalin-6-yl)oxyboronic acid
CID 142800647
1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinoline;hydrochloride
CID 138397344
2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
CID 55080992
CID 90466535
CID 90466535
ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
CID 86685267

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-1,3-dimethylisoquinoline?
The IUPAC name of 6,7-diethoxy-1,3-dimethylisoquinoline (CID 91665463) is 6,7-diethoxy-1,3-dimethylisoquinoline.
What is the SMILES notation for 6,7-diethoxy-1,3-dimethylisoquinoline?
The canonical SMILES for 6,7-diethoxy-1,3-dimethylisoquinoline is CCOc1cc2cc(C)nc(C)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-1,3-dimethylisoquinoline?
The InChIKey is YDXDDKGEEVVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-17-14-8-12-7-10(3)16-11(4)13(12)9-15(14)18-6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of 6,7-diethoxy-1,3-dimethylisoquinoline?
6,7-diethoxy-1,3-dimethylisoquinoline has a molecular weight of 245.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-1,3-dimethylisoquinoline is sourced from PubChem (CID 91665463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).