1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one

C16H12F2N2O2 — CID 71713186

IUPAC1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2c(c1)c(=O)ncn2Cc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-22-12-4-5-15-13(7-12)16(21)19-9-20(15)8-10-2-3-11(17)6-14(10)18/h2-7,9H,8H2,1H3
InChIKeyQKRNFNJYQOXJJZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.73
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one

1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one (PubChem CID 71713186) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one
PubChem CID71713186
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one
SMILESCOc1ccc2c(c1)c(=O)ncn2Cc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-22-12-4-5-15-13(7-12)16(21)19-9-20(15)8-10-2-3-11(17)6-14(10)18/h2-7,9H,8H2,1H3
InChIKeyQKRNFNJYQOXJJZ-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one (CID 71713186) is 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one is COc1ccc2c(c1)c(=O)ncn2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one?
The InChIKey is QKRNFNJYQOXJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-22-12-4-5-15-13(7-12)16(21)19-9-20(15)8-10-2-3-11(17)6-14(10)18/h2-7,9H,8H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one?
1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one has a molecular weight of 302.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-methoxyquinazolin-4-one is sourced from PubChem (CID 71713186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).