(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone

C14H19N3O2 — CID 79152246

IUPAC(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1cccc2c1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C14H19N3O2/c15-13-3-1-2-11-10-17(5-4-12(11)13)14(18)16-6-8-19-9-7-16/h1-3H,4-10,15H2
InChIKeyNJGWXOOZUTWMLW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.08
Rot. Bonds

About (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 79152246) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID79152246
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESNc1cccc2c1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C14H19N3O2/c15-13-3-1-2-11-10-17(5-4-12(11)13)14(18)16-6-8-19-9-7-16/h1-3H,4-10,15H2
InChIKeyNJGWXOOZUTWMLW-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone
CID 64766494
2-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557696
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107963575
1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103021500
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862189
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone
CID 66483208
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107180811
5-amino-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 143544356
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 4102050

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (CID 79152246) is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is Nc1cccc2c1CCN(C(=O)N1CCOCC1)C2.
What is the InChIKey of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is NJGWXOOZUTWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13-3-1-2-11-10-17(5-4-12(11)13)14(18)16-6-8-19-9-7-16/h1-3H,4-10,15H2.
What are the key properties of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 79152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).