2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide

C22H23N3O2 — CID 138036434

IUPAC2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESCCn1cc(CC(=O)N2CCc3c(cccc3C(N)=O)C2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-24-14-16(18-7-3-4-9-20(18)24)12-21(26)25-11-10-17-15(13-25)6-5-8-19(17)22(23)27/h3-9,14H,2,10-13H2,1H3,(H2,23,27)
InChIKeyQJYHJKHHZVZODK-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide

2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide (PubChem CID 138036434) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide.

Molecular Properties

Compound Name2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
PubChem CID138036434
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESCCn1cc(CC(=O)N2CCc3c(cccc3C(N)=O)C2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-24-14-16(18-7-3-4-9-20(18)24)12-21(26)25-11-10-17-15(13-25)6-5-8-19(17)22(23)27/h3-9,14H,2,10-13H2,1H3,(H2,23,27)
InChIKeyQJYHJKHHZVZODK-UHFFFAOYSA-N
XLogP2.89
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
2-propanoyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557204
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
2-(4,4,4-trifluorobutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557683
2-[2-(1-methylpyrazol-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 136556446
2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 97060187
1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47061374
2-(1-ethylindol-3-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 86874234
2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557225
2-N-[3-(1,1-difluoroethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
CID 126825486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The IUPAC name of 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide (CID 138036434) is 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide.
What is the SMILES notation for 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The canonical SMILES for 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide is CCn1cc(CC(=O)N2CCc3c(cccc3C(N)=O)C2)c2ccccc21.
What is the InChIKey of 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The InChIKey is QJYHJKHHZVZODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-24-14-16(18-7-3-4-9-20(18)24)12-21(26)25-11-10-17-15(13-25)6-5-8-19(17)22(23)27/h3-9,14H,2,10-13H2,1H3,(H2,23,27).
What are the key properties of 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide is sourced from PubChem (CID 138036434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).