(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone

C20H19N3O3S — CID 51048790

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1snnc1-c1ccccc1)CC2
InChIInChI=1S/C20H19N3O3S/c1-25-16-10-14-8-9-23(12-15(14)11-17(16)26-2)20(24)19-18(21-22-27-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyQRTPMKZHRJVRNS-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.42
Rot. Bonds4

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone (PubChem CID 51048790) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
PubChem CID51048790
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1snnc1-c1ccccc1)CC2
InChIInChI=1S/C20H19N3O3S/c1-25-16-10-14-8-9-23(12-15(14)11-17(16)26-2)20(24)19-18(21-22-27-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyQRTPMKZHRJVRNS-UHFFFAOYSA-N
XLogP3.42
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 38211021
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110649182
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 100748246

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone (CID 51048790) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1snnc1-c1ccccc1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone?
The InChIKey is QRTPMKZHRJVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-16-10-14-8-9-23(12-15(14)11-17(16)26-2)20(24)19-18(21-22-27-19)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone has a molecular weight of 381.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone is sourced from PubChem (CID 51048790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).