5-amino-2-(4-aminophenyl)-6-bromochromen-4-one

C15H11BrN2O2 — CID 15346987

IUPAC5-amino-2-(4-aminophenyl)-6-bromochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(Br)ccc3o2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-10-5-6-12-14(15(10)18)11(19)7-13(20-12)8-1-3-9(17)4-2-8/h1-7H,17-18H2
InChIKeyWSCVUJUBCPMYTM-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.39
Rot. Bonds1

About 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one

5-amino-2-(4-aminophenyl)-6-bromochromen-4-one (PubChem CID 15346987) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-aminophenyl)-6-bromochromen-4-one
PubChem CID15346987
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-amino-2-(4-aminophenyl)-6-bromochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(Br)ccc3o2)cc1
InChIInChI=1S/C15H11BrN2O2/c16-10-5-6-12-14(15(10)18)11(19)7-13(20-12)8-1-3-9(17)4-2-8/h1-7H,17-18H2
InChIKeyWSCVUJUBCPMYTM-UHFFFAOYSA-N
XLogP3.39
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one?
The IUPAC name of 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one (CID 15346987) is 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one?
The canonical SMILES for 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)c(Br)ccc3o2)cc1.
What is the InChIKey of 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one?
The InChIKey is WSCVUJUBCPMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-10-5-6-12-14(15(10)18)11(19)7-13(20-12)8-1-3-9(17)4-2-8/h1-7H,17-18H2.
What are the key properties of 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one?
5-amino-2-(4-aminophenyl)-6-bromochromen-4-one has a molecular weight of 331.17 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-aminophenyl)-6-bromochromen-4-one is sourced from PubChem (CID 15346987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).