6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline

C21H22N2O2 — CID 74539566

IUPAC6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4c(c3)CCN4C)c2cc1OC
InChIInChI=1S/C21H22N2O2/c1-23-7-6-15-8-14(4-5-19(15)23)9-16-12-22-13-17-10-20(24-2)21(25-3)11-18(16)17/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeyCWTFFIXKTCNZPU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.84
Rot. Bonds4

About 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline

6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline (PubChem CID 74539566) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline
PubChem CID74539566
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3ccc4c(c3)CCN4C)c2cc1OC
InChIInChI=1S/C21H22N2O2/c1-23-7-6-15-8-14(4-5-19(15)23)9-16-12-22-13-17-10-20(24-2)21(25-3)11-18(16)17/h4-5,8,10-13H,6-7,9H2,1-3H3
InChIKeyCWTFFIXKTCNZPU-UHFFFAOYSA-N
XLogP3.84
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline (CID 74539566) is 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline is COc1cc2cncc(Cc3ccc4c(c3)CCN4C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline?
The InChIKey is CWTFFIXKTCNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23-7-6-15-8-14(4-5-19(15)23)9-16-12-22-13-17-10-20(24-2)21(25-3)11-18(16)17/h4-5,8,10-13H,6-7,9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline?
6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline has a molecular weight of 334.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(1-methyl-2,3-dihydroindol-5-yl)methyl]isoquinoline is sourced from PubChem (CID 74539566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).