3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one

C14H10Br2N4O — CID 13241183

IUPAC3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one
SMILESNn1c(Nc2ccc(Br)cc2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H10Br2N4O/c15-8-1-4-10(5-2-8)18-14-19-12-6-3-9(16)7-11(12)13(21)20(14)17/h1-7H,17H2,(H,18,19)
InChIKeyDYMOCEGOHIWORA-UHFFFAOYSA-N
MW410.07 g/mol
LogP3.38
Rot. Bonds2

About 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one

3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one (PubChem CID 13241183) has the molecular formula C14H10Br2N4O and a molecular weight of 410.07 g/mol. Its IUPAC name is 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one
PubChem CID13241183
Molecular FormulaC14H10Br2N4O
Molecular Weight410.07 g/mol
Exact Mass407.92
IUPAC Name3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one
SMILESNn1c(Nc2ccc(Br)cc2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H10Br2N4O/c15-8-1-4-10(5-2-8)18-14-19-12-6-3-9(16)7-11(12)13(21)20(14)17/h1-7H,17H2,(H,18,19)
InChIKeyDYMOCEGOHIWORA-UHFFFAOYSA-N
XLogP3.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one?
The IUPAC name of 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one (CID 13241183) is 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one.
What is the SMILES notation for 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one?
The canonical SMILES for 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one is Nn1c(Nc2ccc(Br)cc2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one?
The InChIKey is DYMOCEGOHIWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N4O/c15-8-1-4-10(5-2-8)18-14-19-12-6-3-9(16)7-11(12)13(21)20(14)17/h1-7H,17H2,(H,18,19).
What are the key properties of 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one?
3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one has a molecular weight of 410.07 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2-(4-bromoanilino)quinazolin-4-one is sourced from PubChem (CID 13241183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).