6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline

C22H21NO — CID 3024611

IUPAC6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-20-12-13-21-18(16-20)14-15-23(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3
InChIKeyFNPFSMMZCAJYPR-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.85
Rot. Bonds3

About 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline

6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 3024611) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
PubChem CID3024611
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-20-12-13-21-18(16-20)14-15-23(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3
InChIKeyFNPFSMMZCAJYPR-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline (CID 3024611) is 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FNPFSMMZCAJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-24-20-12-13-21-18(16-20)14-15-23(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-13,16,22H,14-15H2,1H3.
What are the key properties of 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 315.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3024611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).