(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C19H24N2O4 — CID 134034104

IUPAC(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCCOc1cc2c(cc1OCC)CN(C(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C19H24N2O4/c1-5-23-16-9-14-7-8-21(11-15(14)10-17(16)24-6-2)19(22)18-12(3)20-25-13(18)4/h9-10H,5-8,11H2,1-4H3
InChIKeyNKSJFWQXDJOTIB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.29
Rot. Bonds5

About (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 134034104) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID134034104
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCCOc1cc2c(cc1OCC)CN(C(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C19H24N2O4/c1-5-23-16-9-14-7-8-21(11-15(14)10-17(16)24-6-2)19(22)18-12(3)20-25-13(18)4/h9-10H,5-8,11H2,1-4H3
InChIKeyNKSJFWQXDJOTIB-UHFFFAOYSA-N
XLogP3.29
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 119693099
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxylic acid
CID 122055916
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-pyridinyl)methanone
CID 41310564
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone
CID 46096954
1-[5-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 8531625
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-nitrophenyl)methanone
CID 24516012
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
ethyl 7-ethoxy-6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956504
3-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 119693122

Frequently Asked Questions

What is the IUPAC name of (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 134034104) is (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is CCOc1cc2c(cc1OCC)CN(C(=O)c1c(C)noc1C)CC2.
What is the InChIKey of (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is NKSJFWQXDJOTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-23-16-9-14-7-8-21(11-15(14)10-17(16)24-6-2)19(22)18-12(3)20-25-13(18)4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 134034104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).