4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine

C15H11F2N3O — CID 80874437

IUPAC4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C15H11F2N3O/c1-18-15-19-13-5-3-2-4-10(13)14(20-15)21-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H,18,19,20)
InChIKeyIIIWGNXZADUREY-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.74
Rot. Bonds3

About 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine

4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine (PubChem CID 80874437) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
PubChem CID80874437
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C15H11F2N3O/c1-18-15-19-13-5-3-2-4-10(13)14(20-15)21-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H,18,19,20)
InChIKeyIIIWGNXZADUREY-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine (CID 80874437) is 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine is CNc1nc(Oc2ccc(F)c(F)c2)c2ccccc2n1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine?
The InChIKey is IIIWGNXZADUREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-18-15-19-13-5-3-2-4-10(13)14(20-15)21-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine?
4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine has a molecular weight of 287.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-methylquinazolin-2-amine is sourced from PubChem (CID 80874437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).