5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline

C11H11NO2 — CID 152590822

IUPAC5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CC=Cc2cc3c(cc21)OCO3
InChIInChI=1S/C11H11NO2/c1-12-4-2-3-8-5-10-11(6-9(8)12)14-7-13-10/h2-3,5-6H,4,7H2,1H3
InChIKeyYVLIFTJAUPJRKP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.88
Rot. Bonds

About 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline

5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 152590822) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline
PubChem CID152590822
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CC=Cc2cc3c(cc21)OCO3
InChIInChI=1S/C11H11NO2/c1-12-4-2-3-8-5-10-11(6-9(8)12)14-7-13-10/h2-3,5-6H,4,7H2,1H3
InChIKeyYVLIFTJAUPJRKP-UHFFFAOYSA-N
XLogP1.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-2H-quinolin-7-yl)boronic acid
CID 123216156
ethyl 1-methyl-2H-quinoline-6-carboxylate
CID 57350988
8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84633023
5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
CID 142057462
5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
CID 135021934
5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84627659
6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 3397945
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
5-methyl-1,3-benzodioxole
CID 142082223
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline (CID 152590822) is 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline is CN1CC=Cc2cc3c(cc21)OCO3.
What is the InChIKey of 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is YVLIFTJAUPJRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-4-2-3-8-5-10-11(6-9(8)12)14-7-13-10/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline?
5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 189.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 152590822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).