2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one

C20H17N5O2 — CID 3234788

IUPAC2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(10-16)13-25-18(26)12-21-17-11-22-20(24-19(17)25)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyXFKAOVCSJQZYCY-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.99
Rot. Bonds5

About 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one

2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one (PubChem CID 3234788) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one
PubChem CID3234788
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(10-16)13-25-18(26)12-21-17-11-22-20(24-19(17)25)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyXFKAOVCSJQZYCY-UHFFFAOYSA-N
XLogP2.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The IUPAC name of 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one (CID 3234788) is 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one.
What is the SMILES notation for 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The canonical SMILES for 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one is COc1cccc(Cn2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1.
What is the InChIKey of 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The InChIKey is XFKAOVCSJQZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(10-16)13-25-18(26)12-21-17-11-22-20(24-19(17)25)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one has a molecular weight of 359.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3234788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).