N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine

C15H10BrN3O2 — CID 5328220

IUPACN-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1
InChIInChI=1S/C15H10BrN3O2/c16-9-2-1-3-10(4-9)19-15-11-5-13-14(21-8-20-13)6-12(11)17-7-18-15/h1-7H,8H2,(H,17,18,19)
InChIKeyOLQRGQFUIYIRSU-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.86
Rot. Bonds2

About N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine

N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine (PubChem CID 5328220) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
PubChem CID5328220
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC NameN-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1
InChIInChI=1S/C15H10BrN3O2/c16-9-2-1-3-10(4-9)19-15-11-5-13-14(21-8-20-13)6-12(11)17-7-18-15/h1-7H,8H2,(H,17,18,19)
InChIKeyOLQRGQFUIYIRSU-UHFFFAOYSA-N
XLogP3.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine (CID 5328220) is N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine is Brc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1.
What is the InChIKey of N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
The InChIKey is OLQRGQFUIYIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-9-2-1-3-10(4-9)19-15-11-5-13-14(21-8-20-13)6-12(11)17-7-18-15/h1-7H,8H2,(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine?
N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine has a molecular weight of 344.17 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 5328220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).