2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C18H15FN4O4 — CID 137002066

IUPAC2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc(F)cc(Oc2nc3cnccc3c(=O)[nH]2)c1)N1CCOCC1
InChIInChI=1S/C18H15FN4O4/c19-12-7-11(17(25)23-3-5-26-6-4-23)8-13(9-12)27-18-21-15-10-20-2-1-14(15)16(24)22-18/h1-2,7-10H,3-6H2,(H,21,22,24)
InChIKeyFPGZLHVUDUVSFJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.72
Rot. Bonds3

About 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137002066) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137002066
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc(F)cc(Oc2nc3cnccc3c(=O)[nH]2)c1)N1CCOCC1
InChIInChI=1S/C18H15FN4O4/c19-12-7-11(17(25)23-3-5-26-6-4-23)8-13(9-12)27-18-21-15-10-20-2-1-14(15)16(24)22-18/h1-2,7-10H,3-6H2,(H,21,22,24)
InChIKeyFPGZLHVUDUVSFJ-UHFFFAOYSA-N
XLogP1.72
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137002066) is 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=C(c1cc(F)cc(Oc2nc3cnccc3c(=O)[nH]2)c1)N1CCOCC1.
What is the InChIKey of 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FPGZLHVUDUVSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-12-7-11(17(25)23-3-5-26-6-4-23)8-13(9-12)27-18-21-15-10-20-2-1-14(15)16(24)22-18/h1-2,7-10H,3-6H2,(H,21,22,24).
What are the key properties of 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 370.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137002066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).