8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one

C9H7N3O3 — CID 25152156

IUPAC8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESNc1nc(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C9H7N3O3/c10-8-4-1-6-7(15-3-14-6)2-5(4)11-9(13)12-8/h1-2H,3H2,(H3,10,11,12,13)
InChIKeyPHTWOUSMPXUSCL-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.23
Rot. Bonds

About 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one

8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 25152156) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID25152156
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESNc1nc(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C9H7N3O3/c10-8-4-1-6-7(15-3-14-6)2-5(4)11-9(13)12-8/h1-2H,3H2,(H3,10,11,12,13)
InChIKeyPHTWOUSMPXUSCL-UHFFFAOYSA-N
XLogP0.23
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 54726414
7-amino-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 53367116
5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone
CID 11494023
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one
CID 141113842
6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine
CID 58972457
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 22480986
8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 71770295

Frequently Asked Questions

What is the IUPAC name of 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 25152156) is 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one is Nc1nc(=O)[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is PHTWOUSMPXUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-8-4-1-6-7(15-3-14-6)2-5(4)11-9(13)12-8/h1-2H,3H2,(H3,10,11,12,13).
What are the key properties of 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one?
8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 205.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 25152156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).