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

C20H24N4O3 — CID 92635376

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
SMILESCCn1cncc1C(=O)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H24N4O3/c1-2-22-14-21-11-17(22)19(25)24-9-10-27-18(13-24)20(26)23-8-7-15-5-3-4-6-16(15)12-23/h3-6,11,14,18H,2,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyGLIAUBZBCAXYAL-SFHVURJKSA-N
MW368.44 g/mol
LogP1.33
Rot. Bonds3

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

3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone (PubChem CID 92635376) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
PubChem CID92635376
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
SMILESCCn1cncc1C(=O)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H24N4O3/c1-2-22-14-21-11-17(22)19(25)24-9-10-27-18(13-24)20(26)23-8-7-15-5-3-4-6-16(15)12-23/h3-6,11,14,18H,2,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyGLIAUBZBCAXYAL-SFHVURJKSA-N
XLogP1.33
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
CID 110246708
3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 110246696
[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-(3-methylbutyl)morpholin-2-yl]methanone
CID 172881377
3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
CID 172881420
[(2R)-4-(2-ethylpyrazole-3-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632860
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 163402060
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
CID 96587626
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
1-[(3R)-3-[(2S)-2-ethylmorpholine-4-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 95284341
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone (CID 92635376) is 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone is CCn1cncc1C(=O)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone?
The InChIKey is GLIAUBZBCAXYAL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-22-14-21-11-17(22)19(25)24-9-10-27-18(13-24)20(26)23-8-7-15-5-3-4-6-16(15)12-23/h3-6,11,14,18H,2,7-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone is sourced from PubChem (CID 92635376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).