9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one

C12H13NO4 — CID 13475781

IUPAC9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESCOc1c2c(cc3c1OCO3)C(=O)N(C)CC2
InChIInChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9-11(10(7)15-2)17-6-16-9/h5H,3-4,6H2,1-2H3
InChIKeyONPOXXGCIAQPEL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.05
Rot. Bonds1

About 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one

9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one (PubChem CID 13475781) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one.

Molecular Properties

Compound Name9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
PubChem CID13475781
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
SMILESCOc1c2c(cc3c1OCO3)C(=O)N(C)CC2
InChIInChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9-11(10(7)15-2)17-6-16-9/h5H,3-4,6H2,1-2H3
InChIKeyONPOXXGCIAQPEL-UHFFFAOYSA-N
XLogP1.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Protopine
CID 4970
Allocryptopine
CID 98570
Hydrocotarnine
CID 3646
Cryptopine
CID 72616
1,3-Benzodioxol-5-yl-1-piperidinylmethanone
CID 1370
Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-, hydrochloride (1:1)
CID 22543
5,7,8,15-Tetrahydro-6-methylbis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one
CID 185559
N-Methylcorydaldine
CID 303906
1-(1,3-Benzodioxol-5-ylcarbonyl)-4-methylpiperidine
CID 5237226
1,3-benzodioxol-5-yl(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 661117
Noroxyhydrastinine
CID 89047
Oxyhydrastinine
CID 160522

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The IUPAC name of 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one (CID 13475781) is 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one.
What is the SMILES notation for 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The canonical SMILES for 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one is COc1c2c(cc3c1OCO3)C(=O)N(C)CC2.
What is the InChIKey of 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
The InChIKey is ONPOXXGCIAQPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9-11(10(7)15-2)17-6-16-9/h5H,3-4,6H2,1-2H3.
What are the key properties of 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one?
9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one has a molecular weight of 235.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 13475781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).