3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

C23H24ClN3O2 — CID 155514766

IUPAC3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H24ClN3O2/c1-2-26-21-12-13-25(14-18-8-10-19(24)11-9-18)16-20(21)22(28)27(23(26)29)15-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyQYDIGFBVJFRHGU-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.29
Rot. Bonds5

About 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 155514766) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID155514766
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C23H24ClN3O2/c1-2-26-21-12-13-25(14-18-8-10-19(24)11-9-18)16-20(21)22(28)27(23(26)29)15-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyQYDIGFBVJFRHGU-UHFFFAOYSA-N
XLogP3.29
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 155514766) is 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is QYDIGFBVJFRHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-2-26-21-12-13-25(14-18-8-10-19(24)11-9-18)16-20(21)22(28)27(23(26)29)15-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 409.92 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).