3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone

C19H26N2O2 — CID 172881420

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
SMILESC=CCCCN1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H26N2O2/c1-2-3-6-10-20-12-13-23-18(15-20)19(22)21-11-9-16-7-4-5-8-17(16)14-21/h2,4-5,7-8,18H,1,3,6,9-15H2
InChIKeySMGCZXKKAPUKPL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.24
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone (PubChem CID 172881420) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
PubChem CID172881420
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
SMILESC=CCCCN1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C19H26N2O2/c1-2-3-6-10-20-12-13-23-18(15-20)19(22)21-11-9-16-7-4-5-8-17(16)14-21/h2,4-5,7-8,18H,1,3,6,9-15H2
InChIKeySMGCZXKKAPUKPL-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
CID 172881377
3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
CID 92635376
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
[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-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-(4-morpholin-4-ylbutyl)urea
CID 86939027
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 28633875

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone (CID 172881420) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone is C=CCCCN1CCOC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone?
The InChIKey is SMGCZXKKAPUKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-3-6-10-20-12-13-23-18(15-20)19(22)21-11-9-16-7-4-5-8-17(16)14-21/h2,4-5,7-8,18H,1,3,6,9-15H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.24, 5 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-pent-4-enylmorpholin-2-yl)methanone is sourced from PubChem (CID 172881420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).