5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

C21H16ClN3O2 — CID 135966007

IUPAC5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(Cl)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C21H16ClN3O2/c22-19-18-16(10-12-23-19)24-20(15-8-4-5-9-17(15)26)25(21(18)27)13-11-14-6-2-1-3-7-14/h1-10,12,26H,11,13H2
InChIKeyFBOFJHVVWRLXBZ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.06
Rot. Bonds4

About 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135966007) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135966007
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(Cl)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C21H16ClN3O2/c22-19-18-16(10-12-23-19)24-20(15-8-4-5-9-17(15)26)25(21(18)27)13-11-14-6-2-1-3-7-14/h1-10,12,26H,11,13H2
InChIKeyFBOFJHVVWRLXBZ-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(R)-2h [PMID:19625189]
CID 135948915
2-(2-Hydroxy-phenyl)-3-phenethyl-5-trifluoromethyl-3H-pyrido[4,3-d]pyri-midin-4-one
CID 135749855
5-Cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948804
2-(2-Hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
CID 135948805
2-(3-fluoro-2-hydroxyphenyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948850
2-(3-Fluoro-2-hydroxyphenyl)-3-(2-phenylethyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948913
M5I9BC1J6V
CID 135948916
3-[2-(2-Fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135965932
2-(2-Hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948888
2-(2-Hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one
CID 135948954
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 90399429
2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 118860583

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135966007) is 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is O=c1c2c(Cl)nccc2nc(-c2ccccc2O)n1CCc1ccccc1.
What is the InChIKey of 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FBOFJHVVWRLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-19-18-16(10-12-23-19)24-20(15-8-4-5-9-17(15)26)25(21(18)27)13-11-14-6-2-1-3-7-14/h1-10,12,26H,11,13H2.
What are the key properties of 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 377.83 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135966007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).