N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C20H22ClN3O2 — CID 119271748

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C3Cc4ccccc4CN3)ccc21.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-13(24)23-9-8-15-10-17(6-7-19(15)23)22-20(25)18-11-14-4-2-3-5-16(14)12-21-18;/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,25);1H
InChIKeyLWZOIXOZJCLKGS-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.67
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119271748) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119271748
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)C3Cc4ccccc4CN3)ccc21.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-13(24)23-9-8-15-10-17(6-7-19(15)23)22-20(25)18-11-14-4-2-3-5-16(14)12-21-18;/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,25);1H
InChIKeyLWZOIXOZJCLKGS-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119271734
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 43020797
N-(4-acetamido-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119283809
(3S)-N-(3-iodo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896209
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(3-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43124629
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 24637683
3-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 42930497

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119271748) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)C3Cc4ccccc4CN3)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is LWZOIXOZJCLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c1-13(24)23-9-8-15-10-17(6-7-19(15)23)22-20(25)18-11-14-4-2-3-5-16(14)12-21-18;/h2-7,10,18,21H,8-9,11-12H2,1H3,(H,22,25);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).