3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone

C22H22N2O — CID 113211710

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
SMILESCc1[nH]c2ccccc2c1C1(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H22N2O/c1-15-20(18-8-4-5-9-19(18)23-15)22(11-12-22)21(25)24-13-10-16-6-2-3-7-17(16)14-24/h2-9,23H,10-14H2,1H3
InChIKeyDWONYJUPSPRKSV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.09
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone (PubChem CID 113211710) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
PubChem CID113211710
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
SMILESCc1[nH]c2ccccc2c1C1(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H22N2O/c1-15-20(18-8-4-5-9-19(18)23-15)22(11-12-22)21(25)24-13-10-16-6-2-3-7-17(16)14-24/h2-9,23H,10-14H2,1H3
InChIKeyDWONYJUPSPRKSV-UHFFFAOYSA-N
XLogP4.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211732
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211751
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110411008
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110852347
N-methyl-1-(2-methyl-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113211761
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 15997169
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729472
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753
3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502513
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone (CID 113211710) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone is Cc1[nH]c2ccccc2c1C1(C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
The InChIKey is DWONYJUPSPRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15-20(18-8-4-5-9-19(18)23-15)22(11-12-22)21(25)24-13-10-16-6-2-3-7-17(16)14-24/h2-9,23H,10-14H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone has a molecular weight of 330.43 g/mol, XLogP of 4.09, 2 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-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 113211710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).