3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone

C19H28N2O2 — CID 172881377

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
SMILESCC(C)CCN1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-15(2)7-9-20-11-12-23-18(14-20)19(22)21-10-8-16-5-3-4-6-17(16)13-21/h3-6,15,18H,7-14H2,1-2H3
InChIKeyIMBZLLFQVNJPIJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.32
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone (PubChem CID 172881377) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
PubChem CID172881377
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
SMILESCC(C)CCN1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-15(2)7-9-20-11-12-23-18(14-20)19(22)21-10-8-16-5-3-4-6-17(16)13-21/h3-6,15,18H,7-14H2,1-2H3
InChIKeyIMBZLLFQVNJPIJ-UHFFFAOYSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
CID 172881420
3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
CID 92635376
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
CID 110246708
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 163402060
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 109149020
[4-(2,1,3-benzothiadiazole-5-carbonyl)morpholin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110246660
3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 110246696
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097
(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 142349412

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone (CID 172881377) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone is CC(C)CCN1CCOC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone?
The InChIKey is IMBZLLFQVNJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)7-9-20-11-12-23-18(14-20)19(22)21-10-8-16-5-3-4-6-17(16)13-21/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone is sourced from PubChem (CID 172881377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).