4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C24H23N3 — CID 68996964

IUPAC4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cnn(Cc4ccccc4)c3c2)C1
InChIInChI=1S/C24H23N3/c1-26-16-21-9-5-6-10-22(21)23(17-26)19-11-12-20-14-25-27(24(20)13-19)15-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3
InChIKeyWJUZPLNCYCGNJN-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.66
Rot. Bonds3

About 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996964) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68996964
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cnn(Cc4ccccc4)c3c2)C1
InChIInChI=1S/C24H23N3/c1-26-16-21-9-5-6-10-22(21)23(17-26)19-11-12-20-14-25-27(24(20)13-19)15-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3
InChIKeyWJUZPLNCYCGNJN-UHFFFAOYSA-N
XLogP4.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)indazol-1-yl]methyl]benzonitrile
CID 68996555
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394657
6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394089
4-indolizin-6-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11615894
1-benzyl-6-fluoroindazole
CID 83414179
4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995695
1-benzyl-6-ethenylindazole
CID 58486291
5-(1-benzylindazol-6-yl)-1-methylpyridin-2-one
CID 175983877
1-benzyl-5,6-dimethoxyindazole
CID 83414174
1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
CID 138994345

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68996964) is 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc3cnn(Cc4ccccc4)c3c2)C1.
What is the InChIKey of 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WJUZPLNCYCGNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-26-16-21-9-5-6-10-22(21)23(17-26)19-11-12-20-14-25-27(24(20)13-19)15-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3.
What are the key properties of 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 353.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylindazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).