7-methoxy-2-methyl-4-phenyl-1H-isoquinoline

C17H17NO — CID 11601267

IUPAC7-methoxy-2-methyl-4-phenyl-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)C=C2c1ccccc1
InChIInChI=1S/C17H17NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyMHBPZMPDYYRXRB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.53
Rot. Bonds2

About 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline

7-methoxy-2-methyl-4-phenyl-1H-isoquinoline (PubChem CID 11601267) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-phenyl-1H-isoquinoline
PubChem CID11601267
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name7-methoxy-2-methyl-4-phenyl-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)C=C2c1ccccc1
InChIInChI=1S/C17H17NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyMHBPZMPDYYRXRB-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline (CID 11601267) is 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline is COc1ccc2c(c1)CN(C)C=C2c1ccccc1.
What is the InChIKey of 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline?
The InChIKey is MHBPZMPDYYRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline?
7-methoxy-2-methyl-4-phenyl-1H-isoquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-phenyl-1H-isoquinoline is sourced from PubChem (CID 11601267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).