4-(3-bromoanilino)quinazolin-7-ol

C14H10BrN3O — CID 135402839

IUPAC4-(3-bromoanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C14H10BrN3O/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19)7-13(12)16-8-17-14/h1-8,19H,(H,16,17,18)
InChIKeyXOLOBKIXFCWGJY-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.84
Rot. Bonds2

About 4-(3-bromoanilino)quinazolin-7-ol

4-(3-bromoanilino)quinazolin-7-ol (PubChem CID 135402839) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-(3-bromoanilino)quinazolin-7-ol.

Molecular Properties

Compound Name4-(3-bromoanilino)quinazolin-7-ol
PubChem CID135402839
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name4-(3-bromoanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C14H10BrN3O/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19)7-13(12)16-8-17-14/h1-8,19H,(H,16,17,18)
InChIKeyXOLOBKIXFCWGJY-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 4-(3-bromoanilino)quinazolin-7-ol?
The IUPAC name of 4-(3-bromoanilino)quinazolin-7-ol (CID 135402839) is 4-(3-bromoanilino)quinazolin-7-ol.
What is the SMILES notation for 4-(3-bromoanilino)quinazolin-7-ol?
The canonical SMILES for 4-(3-bromoanilino)quinazolin-7-ol is Oc1ccc2c(Nc3cccc(Br)c3)ncnc2c1.
What is the InChIKey of 4-(3-bromoanilino)quinazolin-7-ol?
The InChIKey is XOLOBKIXFCWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19)7-13(12)16-8-17-14/h1-8,19H,(H,16,17,18).
What are the key properties of 4-(3-bromoanilino)quinazolin-7-ol?
4-(3-bromoanilino)quinazolin-7-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 4-(3-bromoanilino)quinazolin-7-ol is sourced from PubChem (CID 135402839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).