1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide

C20H19N3O3 — CID 47061374

IUPAC1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCc3ccc(O)cc3C2)c2ccccc12
InChIInChI=1S/C20H19N3O3/c21-20(26)17-11-23(18-4-2-1-3-16(17)18)12-19(25)22-8-7-13-5-6-15(24)9-14(13)10-22/h1-6,9,11,24H,7-8,10,12H2,(H2,21,26)
InChIKeyIKBCIGNKEZRXDE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide

1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide (PubChem CID 47061374) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
PubChem CID47061374
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCc3ccc(O)cc3C2)c2ccccc12
InChIInChI=1S/C20H19N3O3/c21-20(26)17-11-23(18-4-2-1-3-16(17)18)12-19(25)22-8-7-13-5-6-15(24)9-14(13)10-22/h1-6,9,11,24H,7-8,10,12H2,(H2,21,26)
InChIKeyIKBCIGNKEZRXDE-UHFFFAOYSA-N
XLogP2.03
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
3-(2-aminophenyl)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 120609319
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
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 154841457
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide (CID 47061374) is 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide is NC(=O)c1cn(CC(=O)N2CCc3ccc(O)cc3C2)c2ccccc12.
What is the InChIKey of 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
The InChIKey is IKBCIGNKEZRXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-20(26)17-11-23(18-4-2-1-3-16(17)18)12-19(25)22-8-7-13-5-6-15(24)9-14(13)10-22/h1-6,9,11,24H,7-8,10,12H2,(H2,21,26).
What are the key properties of 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide?
1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 47061374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).