N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119271421

IUPACN-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCNC(=O)CNC(=O)C1Cc2ccccc2CN1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)9-17-14(19)12-7-10-5-3-4-6-11(10)8-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,18)(H,17,19);1H
InChIKeyMMJRWGMQMANXOG-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.38
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119271421) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119271421
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCNC(=O)CNC(=O)C1Cc2ccccc2CN1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)9-17-14(19)12-7-10-5-3-4-6-11(10)8-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,18)(H,17,19);1H
InChIKeyMMJRWGMQMANXOG-UHFFFAOYSA-N
XLogP0.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride 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

(3S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896839
(3S)-N-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44665934
(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
(3S)-N-[3-oxo-3-(propylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896424
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287179
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119345531
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119271421) is N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is CCNC(=O)CNC(=O)C1Cc2ccccc2CN1.Cl.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is MMJRWGMQMANXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-2-15-13(18)9-17-14(19)12-7-10-5-3-4-6-11(10)8-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,18)(H,17,19);1H.
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).