6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one

C20H16N4O3 — CID 135435184

IUPAC6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one
SMILESCOc1cccc(-c2nc3nc[nH]c(=O)c3nc2-c2cccc(OC)c2)c1
InChIInChI=1S/C20H16N4O3/c1-26-14-7-3-5-12(9-14)16-17(13-6-4-8-15(10-13)27-2)24-19-18(23-16)20(25)22-11-21-19/h3-11H,1-2H3,(H,21,22,24,25)
InChIKeyLBTYBDMWMANGQU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.06
Rot. Bonds4

About 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one

6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one (PubChem CID 135435184) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one
PubChem CID135435184
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one
SMILESCOc1cccc(-c2nc3nc[nH]c(=O)c3nc2-c2cccc(OC)c2)c1
InChIInChI=1S/C20H16N4O3/c1-26-14-7-3-5-12(9-14)16-17(13-6-4-8-15(10-13)27-2)24-19-18(23-16)20(25)22-11-21-19/h3-11H,1-2H3,(H,21,22,24,25)
InChIKeyLBTYBDMWMANGQU-UHFFFAOYSA-N
XLogP3.06
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one (CID 135435184) is 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one is COc1cccc(-c2nc3nc[nH]c(=O)c3nc2-c2cccc(OC)c2)c1.
What is the InChIKey of 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one?
The InChIKey is LBTYBDMWMANGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-26-14-7-3-5-12(9-14)16-17(13-6-4-8-15(10-13)27-2)24-19-18(23-16)20(25)22-11-21-19/h3-11H,1-2H3,(H,21,22,24,25).
What are the key properties of 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one?
6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one has a molecular weight of 360.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135435184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).