1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone

C19H19N3O — CID 28707231

IUPAC1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C19H19N3O/c20-16-6-5-13-7-8-22(12-15(13)9-16)19(23)10-14-11-21-18-4-2-1-3-17(14)18/h1-6,9,11,21H,7-8,10,12,20H2
InChIKeyWEHGYOKRSWYBPN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.88
Rot. Bonds2

About 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone

1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 28707231) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID28707231
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C19H19N3O/c20-16-6-5-13-7-8-22(12-15(13)9-16)19(23)10-14-11-21-18-4-2-1-3-17(14)18/h1-6,9,11,21H,7-8,10,12,20H2
InChIKeyWEHGYOKRSWYBPN-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644283
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-[2-(1H-indol-3-yl)acetyl]-N-(oxan-2-yloxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 86656589
1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 127264792
7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176506843
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
CID 56778396
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 75098577
1-[2-(1H-indol-3-yl)acetyl]-4-phenyl-1,4-diazepan-5-one
CID 110867163
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089559
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone (CID 28707231) is 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone is Nc1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is WEHGYOKRSWYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-16-6-5-13-7-8-22(12-15(13)9-16)19(23)10-14-11-21-18-4-2-1-3-17(14)18/h1-6,9,11,21H,7-8,10,12,20H2.
What are the key properties of 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone?
1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 305.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 28707231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).