2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one

C21H14ClN3O2 — CID 118860583

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H14ClN3O2/c22-15-7-4-14(5-8-15)6-9-20-24-19-10-11-23-13-18(19)21(27)25(20)16-2-1-3-17(26)12-16/h1-13,26H/b9-6+
InChIKeyDKVNLDWFSLAVJZ-RMKNXTFCSA-N
MW375.82 g/mol
LogP4.31
Rot. Bonds3

About 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one

2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 118860583) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID118860583
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H14ClN3O2/c22-15-7-4-14(5-8-15)6-9-20-24-19-10-11-23-13-18(19)21(27)25(20)16-2-1-3-17(26)12-16/h1-13,26H/b9-6+
InChIKeyDKVNLDWFSLAVJZ-RMKNXTFCSA-N
XLogP4.31
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 118860583) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one is O=c1c2cnccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(O)c1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DKVNLDWFSLAVJZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-15-7-4-14(5-8-15)6-9-20-24-19-10-11-23-13-18(19)21(27)25(20)16-2-1-3-17(26)12-16/h1-13,26H/b9-6+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one?
2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 375.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 118860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).