1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide

C20H19N3O2 — CID 47059443

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12
InChIInChI=1S/C20H19N3O2/c21-20(25)17-12-23(18-8-4-3-7-16(17)18)13-19(24)22-10-9-14-5-1-2-6-15(14)11-22/h1-8,12H,9-11,13H2,(H2,21,25)
InChIKeyPWCMILHQSVQNRE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.33
Rot. Bonds3

About 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide (PubChem CID 47059443) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
PubChem CID47059443
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12
InChIInChI=1S/C20H19N3O2/c21-20(25)17-12-23(18-8-4-3-7-16(17)18)13-19(24)22-10-9-14-5-1-2-6-15(14)11-22/h1-8,12H,9-11,13H2,(H2,21,25)
InChIKeyPWCMILHQSVQNRE-UHFFFAOYSA-N
XLogP2.33
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47061374
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4075467
1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138036434
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43556488
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81491436

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide (CID 47059443) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide is NC(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The InChIKey is PWCMILHQSVQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-20(25)17-12-23(18-8-4-3-7-16(17)18)13-19(24)22-10-9-14-5-1-2-6-15(14)11-22/h1-8,12H,9-11,13H2,(H2,21,25).
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 47059443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).