N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119277750

IUPACN-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCOCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H23N3O3.ClH/c21-16(20-7-9-23-10-8-20)5-6-18-17(22)15-11-13-3-1-2-4-14(13)12-19-15;/h1-4,15,19H,5-12H2,(H,18,22);1H
InChIKeyKDWLEXMOBZELKK-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.49
Rot. Bonds4

About N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119277750) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119277750
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCOCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H23N3O3.ClH/c21-16(20-7-9-23-10-8-20)5-6-18-17(22)15-11-13-3-1-2-4-14(13)12-19-15;/h1-4,15,19H,5-12H2,(H,18,22);1H
InChIKeyKDWLEXMOBZELKK-UHFFFAOYSA-N
XLogP0.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-morpholin-4-yl-3-oxopropyl)-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

N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119277751
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287179
(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896809
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119287180
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
(3S)-N-[3-oxo-3-(propylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896424
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119865913
5-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869585
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752
ethyl 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate
CID 104896592

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119277750) is N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(NCCC(=O)N1CCOCC1)C1Cc2ccccc2CN1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is KDWLEXMOBZELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c21-16(20-7-9-23-10-8-20)5-6-18-17(22)15-11-13-3-1-2-4-14(13)12-19-15;/h1-4,15,19H,5-12H2,(H,18,22);1H.
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119277750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).