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

C23H23N3O3 — CID 134795760

IUPAC2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOCC(=O)N1CCc2nc(-c3ccccc3)nc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C23H23N3O3/c1-28-15-21(27)26-13-12-20-19(14-26)22(16-8-10-18(29-2)11-9-16)25-23(24-20)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyYFUZCEDFRVVBDM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.35
Rot. Bonds5

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

2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 134795760) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID134795760
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOCC(=O)N1CCc2nc(-c3ccccc3)nc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C23H23N3O3/c1-28-15-21(27)26-13-12-20-19(14-26)22(16-8-10-18(29-2)11-9-16)25-23(24-20)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyYFUZCEDFRVVBDM-UHFFFAOYSA-N
XLogP3.35
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 134795760) is 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is COCC(=O)N1CCc2nc(-c3ccccc3)nc(-c3ccc(OC)cc3)c2C1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is YFUZCEDFRVVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-15-21(27)26-13-12-20-19(14-26)22(16-8-10-18(29-2)11-9-16)25-23(24-20)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 389.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 134795760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).