6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline

C25H23NO3 — CID 71450676

IUPAC6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline
SMILESCOc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C)c2c(OC)c1OC
InChIInChI=1S/C25H23NO3/c1-16-23-20(15-22(27-2)24(28-3)25(23)29-4)14-21(26-16)19-12-8-11-18(13-19)17-9-6-5-7-10-17/h5-15H,1-4H3
InChIKeyTXAIKDNUTJAPNP-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.90
Rot. Bonds5

About 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline

6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline (PubChem CID 71450676) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline.

Molecular Properties

Compound Name6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline
PubChem CID71450676
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline
SMILESCOc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C)c2c(OC)c1OC
InChIInChI=1S/C25H23NO3/c1-16-23-20(15-22(27-2)24(28-3)25(23)29-4)14-21(26-16)19-12-8-11-18(13-19)17-9-6-5-7-10-17/h5-15H,1-4H3
InChIKeyTXAIKDNUTJAPNP-UHFFFAOYSA-N
XLogP5.90
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Palmatine
CID 19009
Moxaverine
CID 70882
Palmatine Chloride
CID 73442
Octaverine
CID 68363
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
Dehydrocorydaline
CID 34781
Dimoxyline
CID 21878
5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline
CID 9994707
7-ethyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135466462
Melosmine
CID 72329

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline?
The IUPAC name of 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline (CID 71450676) is 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline.
What is the SMILES notation for 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline?
The canonical SMILES for 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline is COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C)c2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline?
The InChIKey is TXAIKDNUTJAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16-23-20(15-22(27-2)24(28-3)25(23)29-4)14-21(26-16)19-12-8-11-18(13-19)17-9-6-5-7-10-17/h5-15H,1-4H3.
What are the key properties of 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline?
6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline has a molecular weight of 385.46 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-1-methyl-3-(3-phenylphenyl)isoquinoline is sourced from PubChem (CID 71450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).