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

C20H17N3O2 — CID 122182442

IUPAC2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2cccc(OCc3ccccc3)c2)Nc2ncccc21
InChIInChI=1S/C20H17N3O2/c24-20-17-10-5-11-21-19(17)22-18(23-20)15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
InChIKeyZFTGCHAIVRZOJG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.51
Rot. Bonds4

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

2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 122182442) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID122182442
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2cccc(OCc3ccccc3)c2)Nc2ncccc21
InChIInChI=1S/C20H17N3O2/c24-20-17-10-5-11-21-19(17)22-18(23-20)15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,18H,13H2,(H,21,22)(H,23,24)
InChIKeyZFTGCHAIVRZOJG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
3-(3-phenylmethoxyphenyl)cyclohexan-1-one
CID 18955612
3-(3-phenylmethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134611920
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954
3-(3-phenylmethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3350776
5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione
CID 170182433
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 122182442) is 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2cccc(OCc3ccccc3)c2)Nc2ncccc21.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZFTGCHAIVRZOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-17-10-5-11-21-19(17)22-18(23-20)15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,18H,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(3-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-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 122182442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).