3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride

C14H19ClN2O2 — CID 119669619

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O2.ClH/c17-14(13-10-18-8-6-15-13)16-7-5-11-3-1-2-4-12(11)9-16;/h1-4,13,15H,5-10H2;1H
InChIKeyDWIIHQNWSQMMDR-UHFFFAOYSA-N
MW282.77 g/mol
LogP0.98
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride

3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride (PubChem CID 119669619) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
PubChem CID119669619
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O2.ClH/c17-14(13-10-18-8-6-15-13)16-7-5-11-3-1-2-4-12(11)9-16;/h1-4,13,15H,5-10H2;1H
InChIKeyDWIIHQNWSQMMDR-UHFFFAOYSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl(morpholin-3-yl)methanone;hydrochloride
CID 119673083
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
CID 110696722
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
1,4-oxazepan-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone;hydrochloride
CID 163341356
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride (CID 119669619) is 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride is Cl.O=C(C1COCCN1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride?
The InChIKey is DWIIHQNWSQMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c17-14(13-10-18-8-6-15-13)16-7-5-11-3-1-2-4-12(11)9-16;/h1-4,13,15H,5-10H2;1H.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride?
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119669619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).