N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119851357

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCc2ccccc2C1)C1CNCCO1
InChIInChI=1S/C17H25N3O2.2ClH/c21-17(16-12-18-8-11-22-16)19-7-3-9-20-10-6-14-4-1-2-5-15(14)13-20;;/h1-2,4-5,16,18H,3,6-13H2,(H,19,21);2*1H
InChIKeyJFSSQWSWPAUXCR-UHFFFAOYSA-N
MW376.33 g/mol
LogP1.38
Rot. Bonds5

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119851357) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119851357
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCc2ccccc2C1)C1CNCCO1
InChIInChI=1S/C17H25N3O2.2ClH/c21-17(16-12-18-8-11-22-16)19-7-3-9-20-10-6-14-4-1-2-5-15(14)13-20;;/h1-2,4-5,16,18H,3,6-13H2,(H,19,21);2*1H
InChIKeyJFSSQWSWPAUXCR-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
CID 119850057
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119850140
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994993
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
CID 39614119

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride (CID 119851357) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCc2ccccc2C1)C1CNCCO1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is JFSSQWSWPAUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-17(16-12-18-8-11-22-16)19-7-3-9-20-10-6-14-4-1-2-5-15(14)13-20;;/h1-2,4-5,16,18H,3,6-13H2,(H,19,21);2*1H.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119851357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).