7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

C12H9N3O2 — CID 84625234

IUPAC7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1N)OCCO3
InChIInChI=1S/C12H9N3O2/c13-6-8-3-7-4-10-11(17-2-1-16-10)5-9(7)15-12(8)14/h3-5H,1-2H2,(H2,14,15)
InChIKeyUWFFAKXRPPQPNH-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.46
Rot. Bonds

About 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (PubChem CID 84625234) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
PubChem CID84625234
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1N)OCCO3
InChIInChI=1S/C12H9N3O2/c13-6-8-3-7-4-10-11(17-2-1-16-10)5-9(7)15-12(8)14/h3-5H,1-2H2,(H2,14,15)
InChIKeyUWFFAKXRPPQPNH-UHFFFAOYSA-N
XLogP1.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
6-aminothieno[2,3-b]pyridine-5-carbonitrile
CID 23130750
N-tert-butyl-2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1450597
7-(methylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carbonitrile
CID 84629981
4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157
6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 82415695
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
CID 155278627
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1450636
7-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
CID 1450602
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117291504
13,16-dioxa-2,4,6-triazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,7,9,11,17-heptaen-5-ylmethanamine
CID 84640681
7-cyano-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 121216139

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The IUPAC name of 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (CID 84625234) is 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile.
What is the SMILES notation for 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The canonical SMILES for 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile is N#Cc1cc2cc3c(cc2nc1N)OCCO3.
What is the InChIKey of 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The InChIKey is UWFFAKXRPPQPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-8-3-7-4-10-11(17-2-1-16-10)5-9(7)15-12(8)14/h3-5H,1-2H2,(H2,14,15).
What are the key properties of 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile has a molecular weight of 227.22 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile is sourced from PubChem (CID 84625234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).