7,8-dimethoxy-1-phenylisoquinoline

C17H15NO2 — CID 134913622

IUPAC7,8-dimethoxy-1-phenylisoquinoline
SMILESCOc1ccc2ccnc(-c3ccccc3)c2c1OC
InChIInChI=1S/C17H15NO2/c1-19-14-9-8-12-10-11-18-16(15(12)17(14)20-2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyYQPAYXRTBFEMGY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.92
Rot. Bonds3

About 7,8-dimethoxy-1-phenylisoquinoline

7,8-dimethoxy-1-phenylisoquinoline (PubChem CID 134913622) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7,8-dimethoxy-1-phenylisoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-1-phenylisoquinoline
PubChem CID134913622
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name7,8-dimethoxy-1-phenylisoquinoline
SMILESCOc1ccc2ccnc(-c3ccccc3)c2c1OC
InChIInChI=1S/C17H15NO2/c1-19-14-9-8-12-10-11-18-16(15(12)17(14)20-2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyYQPAYXRTBFEMGY-UHFFFAOYSA-N
XLogP3.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791
7-methoxy-1-phenylisoquinoline
CID 86087026
7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
CID 11995264
1-(2-methoxy-5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
CID 122217303
3-ethoxy-4,5,6-trimethoxyphenanthrene
CID 16638082
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
CID 133095598
9-methoxy-3-azapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene
CID 166001806
5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
CID 138975292
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
carbanide;iridium;1-phenylisoquinoline
CID 166502152
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-phenylisoquinoline?
The IUPAC name of 7,8-dimethoxy-1-phenylisoquinoline (CID 134913622) is 7,8-dimethoxy-1-phenylisoquinoline.
What is the SMILES notation for 7,8-dimethoxy-1-phenylisoquinoline?
The canonical SMILES for 7,8-dimethoxy-1-phenylisoquinoline is COc1ccc2ccnc(-c3ccccc3)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-1-phenylisoquinoline?
The InChIKey is YQPAYXRTBFEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-14-9-8-12-10-11-18-16(15(12)17(14)20-2)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 7,8-dimethoxy-1-phenylisoquinoline?
7,8-dimethoxy-1-phenylisoquinoline has a molecular weight of 265.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-phenylisoquinoline is sourced from PubChem (CID 134913622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).