(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone

C20H20N2O3 — CID 27515136

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C20H20N2O3/c1-24-18-10-13-7-8-22(12-15(13)11-19(18)25-2)20(23)17-9-14-5-3-4-6-16(14)21-17/h3-6,9-11,21H,7-8,12H2,1-2H3
InChIKeyDBMSQAZGECHEJI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.38
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone (PubChem CID 27515136) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
PubChem CID27515136
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C20H20N2O3/c1-24-18-10-13-7-8-22(12-15(13)11-19(18)25-2)20(23)17-9-14-5-3-4-6-16(14)21-17/h3-6,9-11,21H,7-8,12H2,1-2H3
InChIKeyDBMSQAZGECHEJI-UHFFFAOYSA-N
XLogP3.38
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-methoxybenzamide
CID 52899027
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-7-yl)methanone
CID 38448028
7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176504288
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110649182

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone (CID 27515136) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3[nH]1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone?
The InChIKey is DBMSQAZGECHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-18-10-13-7-8-22(12-15(13)11-19(18)25-2)20(23)17-9-14-5-3-4-6-16(14)21-17/h3-6,9-11,21H,7-8,12H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 27515136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).