8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one

C16H14N4O3 — CID 3233697

IUPAC8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3ncc(=O)n(C4CC4)c3n2)cc1
InChIInChI=1S/C16H14N4O3/c1-22-11-4-6-12(7-5-11)23-16-18-8-13-15(19-16)20(10-2-3-10)14(21)9-17-13/h4-10H,2-3H2,1H3
InChIKeyBITCZCUZMFHHJH-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.32
Rot. Bonds4

About 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one

8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one (PubChem CID 3233697) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one
PubChem CID3233697
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3ncc(=O)n(C4CC4)c3n2)cc1
InChIInChI=1S/C16H14N4O3/c1-22-11-4-6-12(7-5-11)23-16-18-8-13-15(19-16)20(10-2-3-10)14(21)9-17-13/h4-10H,2-3H2,1H3
InChIKeyBITCZCUZMFHHJH-UHFFFAOYSA-N
XLogP2.32
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one (CID 3233697) is 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one is COc1ccc(Oc2ncc3ncc(=O)n(C4CC4)c3n2)cc1.
What is the InChIKey of 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one?
The InChIKey is BITCZCUZMFHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-11-4-6-12(7-5-11)23-16-18-8-13-15(19-16)20(10-2-3-10)14(21)9-17-13/h4-10H,2-3H2,1H3.
What are the key properties of 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one?
8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one has a molecular weight of 310.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(4-methoxyphenoxy)pteridin-7-one is sourced from PubChem (CID 3233697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).