4-(4-bromo-2-fluoroanilino)quinazolin-7-ol

C14H9BrFN3O — CID 136619749

IUPAC4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(Br)cc3F)ncnc2c1
InChIInChI=1S/C14H9BrFN3O/c15-8-1-4-12(11(16)5-8)19-14-10-3-2-9(20)6-13(10)17-7-18-14/h1-7,20H,(H,17,18,19)
InChIKeyNNWDBQMTGGSXFV-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.98
Rot. Bonds2

About 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol

4-(4-bromo-2-fluoroanilino)quinazolin-7-ol (PubChem CID 136619749) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
PubChem CID136619749
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(Br)cc3F)ncnc2c1
InChIInChI=1S/C14H9BrFN3O/c15-8-1-4-12(11(16)5-8)19-14-10-3-2-9(20)6-13(10)17-7-18-14/h1-7,20H,(H,17,18,19)
InChIKeyNNWDBQMTGGSXFV-UHFFFAOYSA-N
XLogP3.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 135066898
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
CID 69100345
N-[[4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]carbamoyl]-2,4-difluorobenzamide
CID 141449305
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
4-N-(4-bromo-2-fluorophenyl)-7-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)quinazoline-4,6-diamine
CID 140533249
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
CID 118884409

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol (CID 136619749) is 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol is Oc1ccc2c(Nc3ccc(Br)cc3F)ncnc2c1.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol?
The InChIKey is NNWDBQMTGGSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-8-1-4-12(11(16)5-8)19-14-10-3-2-9(20)6-13(10)17-7-18-14/h1-7,20H,(H,17,18,19).
What are the key properties of 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol?
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol has a molecular weight of 334.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)quinazolin-7-ol is sourced from PubChem (CID 136619749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).