(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone

C20H20N2O5 — CID 46096954

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(C)noc1-c1ccco1)CC2
InChIInChI=1S/C20H20N2O5/c1-12-18(19(27-21-12)15-5-4-8-26-15)20(23)22-7-6-13-9-16(24-2)17(25-3)10-14(13)11-22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyZTFSXWNTVYRCDX-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.46
Rot. Bonds4

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 46096954) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone
PubChem CID46096954
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(C)noc1-c1ccco1)CC2
InChIInChI=1S/C20H20N2O5/c1-12-18(19(27-21-12)15-5-4-8-26-15)20(23)22-7-6-13-9-16(24-2)17(25-3)10-14(13)11-22/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyZTFSXWNTVYRCDX-UHFFFAOYSA-N
XLogP3.46
TPSA77.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 84544905
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 134034104
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
CID 138807154
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 27929261
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
(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
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 124875106
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138808414
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
CID 109169350
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
CID 56819353

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone (CID 46096954) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone is COc1cc2c(cc1OC)CN(C(=O)c1c(C)noc1-c1ccco1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is ZTFSXWNTVYRCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-18(19(27-21-12)15-5-4-8-26-15)20(23)22-7-6-13-9-16(24-2)17(25-3)10-14(13)11-22/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 368.39 g/mol, XLogP of 3.46, 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)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 46096954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).