2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one

C16H14FN3O3 — CID 135899149

IUPAC2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCCCOc2cccc(F)c2)nc2ncccc12
InChIInChI=1S/C16H14FN3O3/c17-11-4-1-5-12(10-11)22-8-3-9-23-16-19-14-13(15(21)20-16)6-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H,18,19,20,21)
InChIKeyRJTAAKMBBDSVNJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.31
Rot. Bonds6

About 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899149) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899149
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCCCOc2cccc(F)c2)nc2ncccc12
InChIInChI=1S/C16H14FN3O3/c17-11-4-1-5-12(10-11)22-8-3-9-23-16-19-14-13(15(21)20-16)6-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H,18,19,20,21)
InChIKeyRJTAAKMBBDSVNJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899149) is 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(OCCCOc2cccc(F)c2)nc2ncccc12.
What is the InChIKey of 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RJTAAKMBBDSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c17-11-4-1-5-12(10-11)22-8-3-9-23-16-19-14-13(15(21)20-16)6-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H,18,19,20,21).
What are the key properties of 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 315.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenoxy)propoxy]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).