2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C20H17N3O2 — CID 122182443

IUPAC2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(OCc3ccccc3)cc2)Nc2ncccc21
InChIInChI=1S/C20H17N3O2/c24-20-17-7-4-12-21-19(17)22-18(23-20)15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
InChIKeyJIPQXFWUONVUSA-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 122182443) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID122182443
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(OCc3ccccc3)cc2)Nc2ncccc21
InChIInChI=1S/C20H17N3O2/c24-20-17-7-4-12-21-19(17)22-18(23-20)15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
InChIKeyJIPQXFWUONVUSA-UHFFFAOYSA-N
XLogP3.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 122182443) is 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2ccc(OCc3ccccc3)cc2)Nc2ncccc21.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JIPQXFWUONVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-17-7-4-12-21-19(17)22-18(23-20)15-8-10-16(11-9-15)25-13-14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 122182443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).