ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline

C13H16N2O3 — CID 142542894

IUPACethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline
SMILESCC.COc1c2c(cc3c(C)ncnc13)OCO2
InChIInChI=1S/C11H10N2O3.C2H6/c1-6-7-3-8-10(16-5-15-8)11(14-2)9(7)13-4-12-6;1-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyZWGPCJJPTQBTSG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.70
Rot. Bonds1

About ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline

ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline (PubChem CID 142542894) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline.

Molecular Properties

Compound Nameethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline
PubChem CID142542894
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline
SMILESCC.COc1c2c(cc3c(C)ncnc13)OCO2
InChIInChI=1S/C11H10N2O3.C2H6/c1-6-7-3-8-10(16-5-15-8)11(14-2)9(7)13-4-12-6;1-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyZWGPCJJPTQBTSG-UHFFFAOYSA-N
XLogP2.70
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline
CID 163275362
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
(1S)-1-(6-ethenyl-4-methoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517897
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
CID 84712248
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
(8R)-4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
CID 125118334

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline?
The IUPAC name of ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline (CID 142542894) is ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline.
What is the SMILES notation for ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline?
The canonical SMILES for ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline is CC.COc1c2c(cc3c(C)ncnc13)OCO2.
What is the InChIKey of ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline?
The InChIKey is ZWGPCJJPTQBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.C2H6/c1-6-7-3-8-10(16-5-15-8)11(14-2)9(7)13-4-12-6;1-2/h3-4H,5H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline?
ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline has a molecular weight of 248.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline is sourced from PubChem (CID 142542894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).