6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

C19H12F2N4O2 — CID 3234422

IUPAC6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H12F2N4O2/c1-27-13-5-3-12(4-6-13)25-18-16(9-22-10-23-18)24-17(19(25)26)11-2-7-14(20)15(21)8-11/h2-10H,1H3
InChIKeyRPUBGEFHMGCQRH-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.13
Rot. Bonds3

About 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one

6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3234422) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3234422
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)cc1
InChIInChI=1S/C19H12F2N4O2/c1-27-13-5-3-12(4-6-13)25-18-16(9-22-10-23-18)24-17(19(25)26)11-2-7-14(20)15(21)8-11/h2-10H,1H3
InChIKeyRPUBGEFHMGCQRH-UHFFFAOYSA-N
XLogP3.13
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (CID 3234422) is 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)cc1.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is RPUBGEFHMGCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c1-27-13-5-3-12(4-6-13)25-18-16(9-22-10-23-18)24-17(19(25)26)11-2-7-14(20)15(21)8-11/h2-10H,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 366.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3234422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).