3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

C26H24ClN5O3 — CID 18569481

IUPAC3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN5O3/c27-20-10-8-19(9-11-20)17-32-25(34)24-22(7-4-12-28-24)31(26(32)35)18-23(33)30-15-13-29(14-16-30)21-5-2-1-3-6-21/h1-12H,13-18H2
InChIKeyCBINELJMWVBPBV-UHFFFAOYSA-N
MW489.96 g/mol
LogP2.61
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 18569481) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID18569481
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC Name3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN5O3/c27-20-10-8-19(9-11-20)17-32-25(34)24-22(7-4-12-28-24)31(26(32)35)18-23(33)30-15-13-29(14-16-30)21-5-2-1-3-6-21/h1-12H,13-18H2
InChIKeyCBINELJMWVBPBV-UHFFFAOYSA-N
XLogP2.61
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951990
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 27558243
ethyl 4-[2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]piperazine-1-carboxylate
CID 41240392
3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569482
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 41240519
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27555520
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 18569481) is 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is CBINELJMWVBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c27-20-10-8-19(9-11-20)17-32-25(34)24-22(7-4-12-28-24)31(26(32)35)18-23(33)30-15-13-29(14-16-30)21-5-2-1-3-6-21/h1-12H,13-18H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 489.96 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18569481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).