1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine

C13H18N4O2 — CID 22139507

IUPAC1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine
SMILESCN(C)CCN1NC=C(N)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H18N4O2/c1-16(2)3-4-17-11-6-13-12(18-8-19-13)5-9(11)10(14)7-15-17/h5-7,15H,3-4,8,14H2,1-2H3
InChIKeyNVZYMIPLUSAICU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.56
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine

1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine (PubChem CID 22139507) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine
PubChem CID22139507
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine
SMILESCN(C)CCN1NC=C(N)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H18N4O2/c1-16(2)3-4-17-11-6-13-12(18-8-19-13)5-9(11)10(14)7-15-17/h5-7,15H,3-4,8,14H2,1-2H3
InChIKeyNVZYMIPLUSAICU-UHFFFAOYSA-N
XLogP0.56
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine (CID 22139507) is 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine is CN(C)CCN1NC=C(N)c2cc3c(cc21)OCO3.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine?
The InChIKey is NVZYMIPLUSAICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(2)3-4-17-11-6-13-12(18-8-19-13)5-9(11)10(14)7-15-17/h5-7,15H,3-4,8,14H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine?
1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine has a molecular weight of 262.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2H-[1,3]dioxolo[4,5-g]cinnolin-4-amine is sourced from PubChem (CID 22139507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).