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

C20H20N2O — CID 4788431

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4ccccc4C3)cc2c1C
InChIInChI=1S/C20H20N2O/c1-13-14(2)21-19-8-7-16(11-18(13)19)20(23)22-10-9-15-5-3-4-6-17(15)12-22/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyRCFUXHPSZLQFOL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.98
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone (PubChem CID 4788431) 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-(2,3-dimethyl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
PubChem CID4788431
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCc4ccccc4C3)cc2c1C
InChIInChI=1S/C20H20N2O/c1-13-14(2)21-19-8-7-16(11-18(13)19)20(23)22-10-9-15-5-3-4-6-17(15)12-22/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyRCFUXHPSZLQFOL-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

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 56871842
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211710

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone (CID 4788431) is 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone is Cc1[nH]c2ccc(C(=O)N3CCc4ccccc4C3)cc2c1C.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The InChIKey is RCFUXHPSZLQFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-14(2)21-19-8-7-16(11-18(13)19)20(23)22-10-9-15-5-3-4-6-17(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-(2,3-dimethyl-1H-indol-5-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-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-(2,3-dimethyl-1H-indol-5-yl)methanone is sourced from PubChem (CID 4788431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).