(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone

C21H23N3O2 — CID 167076958

IUPAC(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4c(C)cccc4C3(C)N)cc12
InChIInChI=1S/C21H23N3O2/c1-13-6-4-7-16-14(13)10-11-24(21(16,2)22)20(25)18-12-15-17(23-18)8-5-9-19(15)26-3/h4-9,12,23H,10-11,22H2,1-3H3
InChIKeyWIRNXHMNIUQZAP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds2

About (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone

(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone (PubChem CID 167076958) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
PubChem CID167076958
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4c(C)cccc4C3(C)N)cc12
InChIInChI=1S/C21H23N3O2/c1-13-6-4-7-16-14(13)10-11-24(21(16,2)22)20(25)18-12-15-17(23-18)8-5-9-19(15)26-3/h4-9,12,23H,10-11,22H2,1-3H3
InChIKeyWIRNXHMNIUQZAP-UHFFFAOYSA-N
XLogP3.31
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
CID 166840060
(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 166749535
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473
[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 158732514
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
CID 162478809

Frequently Asked Questions

What is the IUPAC name of (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone (CID 167076958) is (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCc4c(C)cccc4C3(C)N)cc12.
What is the InChIKey of (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The InChIKey is WIRNXHMNIUQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-6-4-7-16-14(13)10-11-24(21(16,2)22)20(25)18-12-15-17(23-18)8-5-9-19(15)26-3/h4-9,12,23H,10-11,22H2,1-3H3.
What are the key properties of (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone?
(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 167076958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).