3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone

C20H20N2O — CID 84578712

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)c(C)c2c1
InChIInChI=1S/C20H20N2O/c1-13-7-8-18-17(11-13)14(2)19(21-18)20(23)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeySWISJRVIYTWRGK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.98
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone (PubChem CID 84578712) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
PubChem CID84578712
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)c(C)c2c1
InChIInChI=1S/C20H20N2O/c1-13-7-8-18-17(11-13)14(2)19(21-18)20(23)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeySWISJRVIYTWRGK-UHFFFAOYSA-N
XLogP3.98
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70743647
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 17472682
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuran-2-yl)methanone
CID 110852371
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
5-(3,5-dimethyl-1H-indole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 50948618
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211710
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone (CID 84578712) is 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)c(C)c2c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone?
The InChIKey is SWISJRVIYTWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-7-8-18-17(11-13)14(2)19(21-18)20(23)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 84578712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).