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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Related Compounds

Papaverine
CID 4680
Berberine
CID 2353
Berberine chloride
CID 12456
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Chelerythrine
CID 2703
Chelerythrine, chloride
CID 72311
Nitidine, chloride
CID 25659
Palmatine Chloride
CID 73442
Coralyne chloride
CID 23306

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).