7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione

C14H12N4O2 — CID 21275141

IUPAC7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
SMILESNc1ccc2c(=O)n(-c3ccccc3N)c(=O)[nH]c2c1
InChIInChI=1S/C14H12N4O2/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,15-16H2,(H,17,20)
InChIKeyFSQOYUYUEXAWCN-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.84
Rot. Bonds1

About 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione

7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione (PubChem CID 21275141) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
PubChem CID21275141
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
SMILESNc1ccc2c(=O)n(-c3ccccc3N)c(=O)[nH]c2c1
InChIInChI=1S/C14H12N4O2/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,15-16H2,(H,17,20)
InChIKeyFSQOYUYUEXAWCN-UHFFFAOYSA-N
XLogP0.84
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione (CID 21275141) is 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione is Nc1ccc2c(=O)n(-c3ccccc3N)c(=O)[nH]c2c1.
What is the InChIKey of 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is FSQOYUYUEXAWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-8-5-6-9-11(7-8)17-14(20)18(13(9)19)12-4-2-1-3-10(12)16/h1-7H,15-16H2,(H,17,20).
What are the key properties of 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione?
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 268.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 21275141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).