3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one

C10H9N3O3 — CID 121215575

IUPAC3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESNn1cnc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C10H9N3O3/c11-13-5-12-7-4-9-8(15-1-2-16-9)3-6(7)10(13)14/h3-5H,1-2,11H2
InChIKeyXKGHMGLISNGEJV-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.12
Rot. Bonds

About 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one

3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 121215575) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID121215575
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESNn1cnc2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C10H9N3O3/c11-13-5-12-7-4-9-8(15-1-2-16-9)3-6(7)10(13)14/h3-5H,1-2,11H2
InChIKeyXKGHMGLISNGEJV-UHFFFAOYSA-N
XLogP-0.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036104
3-[(3-bromophenyl)methyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 127028861
3-amino-2-sulfanylidene-7,8-dihydro-1H-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 57331406
2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxamide
CID 67383465
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-fluoroquinazolin-4-one
CID 40743908
N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide
CID 35758935
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-chloroquinazolin-4-one
CID 24528451
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-chloroquinazolin-4-one
CID 8005582
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-7-methoxyquinazolin-4-one
CID 21004606
11-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66502011
(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
CID 23557922

Frequently Asked Questions

What is the IUPAC name of 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 121215575) is 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is Nn1cnc2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is XKGHMGLISNGEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-13-5-12-7-4-9-8(15-1-2-16-9)3-6(7)10(13)14/h3-5H,1-2,11H2.
What are the key properties of 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one?
3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 219.20 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 121215575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).