3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone

C20H24N4O3S — CID 110246708

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H24N4O3S/c1-2-5-16-18(28-22-21-16)20(26)24-10-11-27-17(13-24)19(25)23-9-8-14-6-3-4-7-15(14)12-23/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyAATZKCOATYSWHV-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.92
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone (PubChem CID 110246708) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
PubChem CID110246708
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C20H24N4O3S/c1-2-5-16-18(28-22-21-16)20(26)24-10-11-27-17(13-24)19(25)23-9-8-14-6-3-4-7-15(14)12-23/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyAATZKCOATYSWHV-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone (CID 110246708) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone is CCCc1nnsc1C(=O)N1CCOC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone?
The InChIKey is AATZKCOATYSWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-5-16-18(28-22-21-16)20(26)24-10-11-27-17(13-24)19(25)23-9-8-14-6-3-4-7-15(14)12-23/h3-4,6-7,17H,2,5,8-13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone has a molecular weight of 400.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone is sourced from PubChem (CID 110246708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).