2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

C22H20ClN3O2 — CID 53147111

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-28-20-8-7-15(11-18(20)23)12-21(27)26-10-9-19-17(14-26)13-24-22(25-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14H2,1H3
InChIKeyYNXWTFYXKYYAGD-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (PubChem CID 53147111) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
PubChem CID53147111
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-28-20-8-7-15(11-18(20)23)12-21(27)26-10-9-19-17(14-26)13-24-22(25-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14H2,1H3
InChIKeyYNXWTFYXKYYAGD-UHFFFAOYSA-N
XLogP3.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone 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-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (CID 53147111) is 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is COc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is YNXWTFYXKYYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-28-20-8-7-15(11-18(20)23)12-21(27)26-10-9-19-17(14-26)13-24-22(25-19)16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 393.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 53147111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).