4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol

C15H11ClFN3O2 — CID 10471217

IUPAC4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
InChIInChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)
InChIKeyJLVTVCRXFMLUIF-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.88
Rot. Bonds3

About 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol

4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol (PubChem CID 10471217) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
PubChem CID10471217
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
InChIInChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)
InChIKeyJLVTVCRXFMLUIF-UHFFFAOYSA-N
XLogP3.88
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol (CID 10471217) is 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol?
The InChIKey is JLVTVCRXFMLUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol?
4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol has a molecular weight of 319.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 10471217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).