1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline

C19H17NO — CID 118444192

IUPAC1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline
SMILESC=C(c1ccc(OC)cc1)c1nc(C)cc2ccccc12
InChIInChI=1S/C19H17NO/c1-13-12-16-6-4-5-7-18(16)19(20-13)14(2)15-8-10-17(21-3)11-9-15/h4-12H,2H2,1,3H3
InChIKeyACIGFOPJVNVVEM-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.61
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline

1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline (PubChem CID 118444192) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline
PubChem CID118444192
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline
SMILESC=C(c1ccc(OC)cc1)c1nc(C)cc2ccccc12
InChIInChI=1S/C19H17NO/c1-13-12-16-6-4-5-7-18(16)19(20-13)14(2)15-8-10-17(21-3)11-9-15/h4-12H,2H2,1,3H3
InChIKeyACIGFOPJVNVVEM-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline (CID 118444192) is 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline is C=C(c1ccc(OC)cc1)c1nc(C)cc2ccccc12.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline?
The InChIKey is ACIGFOPJVNVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-12-16-6-4-5-7-18(16)19(20-13)14(2)15-8-10-17(21-3)11-9-15/h4-12H,2H2,1,3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline?
1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline has a molecular weight of 275.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethenyl]-3-methylisoquinoline is sourced from PubChem (CID 118444192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).