6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride

C16H24ClNO2 — CID 2929229

IUPAC6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15;/h7-8,10H,9H2,1-6H3;1H
InChIKeyBJQPGOPKWMGMGH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.91
Rot. Bonds3

About 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride

6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride (PubChem CID 2929229) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride
PubChem CID2929229
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15;/h7-8,10H,9H2,1-6H3;1H
InChIKeyBJQPGOPKWMGMGH-UHFFFAOYSA-N
XLogP3.91
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride (CID 2929229) is 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride is COc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2.Cl.
What is the InChIKey of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride?
The InChIKey is BJQPGOPKWMGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15;/h7-8,10H,9H2,1-6H3;1H.
What are the key properties of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride?
6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline;hydrochloride is sourced from PubChem (CID 2929229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).