[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol

C16H13BrFN3O2 — CID 23569383

IUPAC[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1CO
InChIInChI=1S/C16H13BrFN3O2/c1-23-15-6-11-14(4-9(15)7-22)19-8-20-16(11)21-13-3-2-10(17)5-12(13)18/h2-6,8,22H,7H2,1H3,(H,19,20,21)
InChIKeyYZWXFTKLMOYJKQ-UHFFFAOYSA-N
MW378.20 g/mol
LogP3.78
Rot. Bonds4

About [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol

[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol (PubChem CID 23569383) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol
PubChem CID23569383
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC Name[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1CO
InChIInChI=1S/C16H13BrFN3O2/c1-23-15-6-11-14(4-9(15)7-22)19-8-20-16(11)21-13-3-2-10(17)5-12(13)18/h2-6,8,22H,7H2,1H3,(H,19,20,21)
InChIKeyYZWXFTKLMOYJKQ-UHFFFAOYSA-N
XLogP3.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol?
The IUPAC name of [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol (CID 23569383) is [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol.
What is the SMILES notation for [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol?
The canonical SMILES for [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol is COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1CO.
What is the InChIKey of [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol?
The InChIKey is YZWXFTKLMOYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c1-23-15-6-11-14(4-9(15)7-22)19-8-20-16(11)21-13-3-2-10(17)5-12(13)18/h2-6,8,22H,7H2,1H3,(H,19,20,21).
What are the key properties of [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol?
[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol has a molecular weight of 378.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]methanol is sourced from PubChem (CID 23569383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).