2-(4-bromoanilino)quinazolin-6-ol

C14H10BrN3O — CID 59254881

IUPAC2-(4-bromoanilino)quinazolin-6-ol
SMILESOc1ccc2nc(Nc3ccc(Br)cc3)ncc2c1
InChIInChI=1S/C14H10BrN3O/c15-10-1-3-11(4-2-10)17-14-16-8-9-7-12(19)5-6-13(9)18-14/h1-8,19H,(H,16,17,18)
InChIKeyCYOMPUVJHYIEOT-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-bromoanilino)quinazolin-6-ol

2-(4-bromoanilino)quinazolin-6-ol (PubChem CID 59254881) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(4-bromoanilino)quinazolin-6-ol.

Molecular Properties

Compound Name2-(4-bromoanilino)quinazolin-6-ol
PubChem CID59254881
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-(4-bromoanilino)quinazolin-6-ol
SMILESOc1ccc2nc(Nc3ccc(Br)cc3)ncc2c1
InChIInChI=1S/C14H10BrN3O/c15-10-1-3-11(4-2-10)17-14-16-8-9-7-12(19)5-6-13(9)18-14/h1-8,19H,(H,16,17,18)
InChIKeyCYOMPUVJHYIEOT-UHFFFAOYSA-N
XLogP3.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)quinazolin-6-ol?
The IUPAC name of 2-(4-bromoanilino)quinazolin-6-ol (CID 59254881) is 2-(4-bromoanilino)quinazolin-6-ol.
What is the SMILES notation for 2-(4-bromoanilino)quinazolin-6-ol?
The canonical SMILES for 2-(4-bromoanilino)quinazolin-6-ol is Oc1ccc2nc(Nc3ccc(Br)cc3)ncc2c1.
What is the InChIKey of 2-(4-bromoanilino)quinazolin-6-ol?
The InChIKey is CYOMPUVJHYIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-10-1-3-11(4-2-10)17-14-16-8-9-7-12(19)5-6-13(9)18-14/h1-8,19H,(H,16,17,18).
What are the key properties of 2-(4-bromoanilino)quinazolin-6-ol?
2-(4-bromoanilino)quinazolin-6-ol has a molecular weight of 316.16 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)quinazolin-6-ol is sourced from PubChem (CID 59254881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).