6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline

C12H11NO4 — CID 849845

IUPAC6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
SMILESCOc1cc(OC)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C12H11NO4/c1-14-9-5-12(15-2)13-8-4-11-10(3-7(8)9)16-6-17-11/h3-5H,6H2,1-2H3
InChIKeyUGVKETGFTBJIMU-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.98
Rot. Bonds2

About 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline

6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 849845) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
PubChem CID849845
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
SMILESCOc1cc(OC)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C12H11NO4/c1-14-9-5-12(15-2)13-8-4-11-10(3-7(8)9)16-6-17-11/h3-5H,6H2,1-2H3
InChIKeyUGVKETGFTBJIMU-UHFFFAOYSA-N
XLogP1.98
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-7-methylquinoline
CID 70166740
16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
8-chloro-6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 139921662
2,4-dimethoxy-7-phenylquinoline
CID 70167084
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
16,17-dimethoxy-5,7,20-trioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
CID 10215314
6-methyl-8-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)disulfanyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 13085991
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
3-methoxy-2-propan-2-yl-[1,3]dioxolo[4,5-f]indazole
CID 118717006
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 13285422
6,8-dimethyl-7-oxido-[1,3]dioxolo[4,5-g]quinazolin-7-ium
CID 102138218

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline (CID 849845) is 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline is COc1cc(OC)c2cc3c(cc2n1)OCO3.
What is the InChIKey of 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is UGVKETGFTBJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-14-9-5-12(15-2)13-8-4-11-10(3-7(8)9)16-6-17-11/h3-5H,6H2,1-2H3.
What are the key properties of 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline?
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 233.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 849845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).