4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol

C16H11BrFN3O3 — CID 138513881

IUPAC4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol
SMILESOC1COc2cc3ncnc(Nc4cccc(Br)c4F)c3cc2O1
InChIInChI=1S/C16H11BrFN3O3/c17-9-2-1-3-10(15(9)18)21-16-8-4-13-12(23-6-14(22)24-13)5-11(8)19-7-20-16/h1-5,7,14,22H,6H2,(H,19,20,21)
InChIKeyWMZCLEINYBXBBF-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.36
Rot. Bonds2

About 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol

4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol (PubChem CID 138513881) has the molecular formula C16H11BrFN3O3 and a molecular weight of 392.18 g/mol. Its IUPAC name is 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol.

Molecular Properties

Compound Name4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol
PubChem CID138513881
Molecular FormulaC16H11BrFN3O3
Molecular Weight392.18 g/mol
Exact Mass391.00
IUPAC Name4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol
SMILESOC1COc2cc3ncnc(Nc4cccc(Br)c4F)c3cc2O1
InChIInChI=1S/C16H11BrFN3O3/c17-9-2-1-3-10(15(9)18)21-16-8-4-13-12(23-6-14(22)24-13)5-11(8)19-7-20-16/h1-5,7,14,22H,6H2,(H,19,20,21)
InChIKeyWMZCLEINYBXBBF-UHFFFAOYSA-N
XLogP3.36
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol with MolForge

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Related Compounds

2-[4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethanol
CID 162532883
(7S,8R)-N-(3-bromo-2-fluorophenyl)-7,8-dimethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 138513793
N-(3-bromo-2-fluorophenyl)-7-[(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)methyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 174205342
[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium
CID 145347228
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
CID 170622569
CID 170622569
[4-(3-bromo-2-fluoroanilino)-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate
CID 122485643
2-[4-(3-bromoanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethanol
CID 142677240
7-ethyl-N-(3-methylphenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 20747417
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
[4-(3,4-dichloro-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-yl]methyl methanesulfonate
CID 155680225
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol?
The IUPAC name of 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol (CID 138513881) is 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol.
What is the SMILES notation for 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol?
The canonical SMILES for 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol is OC1COc2cc3ncnc(Nc4cccc(Br)c4F)c3cc2O1.
What is the InChIKey of 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol?
The InChIKey is WMZCLEINYBXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O3/c17-9-2-1-3-10(15(9)18)21-16-8-4-13-12(23-6-14(22)24-13)5-11(8)19-7-20-16/h1-5,7,14,22H,6H2,(H,19,20,21).
What are the key properties of 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol?
4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol has a molecular weight of 392.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol is sourced from PubChem (CID 138513881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).