ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline

C12H14N2O2 — CID 163275362

IUPACethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline
SMILESCC.Cc1ncnc2c3c(ccc12)OCO3
InChIInChI=1S/C10H8N2O2.C2H6/c1-6-7-2-3-8-10(14-5-13-8)9(7)12-4-11-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyCMMHYVMFEUUEPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.69
Rot. Bonds

About ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline

ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline (PubChem CID 163275362) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline.

Molecular Properties

Compound Nameethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline
PubChem CID163275362
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline
SMILESCC.Cc1ncnc2c3c(ccc12)OCO3
InChIInChI=1S/C10H8N2O2.C2H6/c1-6-7-2-3-8-10(14-5-13-8)9(7)12-4-11-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyCMMHYVMFEUUEPQ-UHFFFAOYSA-N
XLogP2.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methoxy-8-methyl-[1,3]dioxolo[4,5-g]quinazoline
CID 142542894
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
CID 134174901
4,5-dimethyl-1,3-benzodioxole
CID 12958464
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
6-methylcyclobuta[g][1,3]benzodioxole
CID 19761193
[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde
CID 142031110
7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine
CID 69158682
ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
CID 171654346
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
4-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 71118175

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline?
The IUPAC name of ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline (CID 163275362) is ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline.
What is the SMILES notation for ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline?
The canonical SMILES for ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline is CC.Cc1ncnc2c3c(ccc12)OCO3.
What is the InChIKey of ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline?
The InChIKey is CMMHYVMFEUUEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C2H6/c1-6-7-2-3-8-10(14-5-13-8)9(7)12-4-11-6;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline?
ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline has a molecular weight of 218.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline is sourced from PubChem (CID 163275362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).