2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide

C28H26N4O3 — CID 20914453

IUPAC2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)cc1
InChIInChI=1S/C28H26N4O3/c1-4-19-11-13-20(14-12-19)29-24(33)17-31-25-22-16-18(2)10-15-23(22)30(3)26(25)27(34)32(28(31)35)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,29,33)
InChIKeyMFQDKRDWGUIHIB-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.15
Rot. Bonds5

About 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide

2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 20914453) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide
PubChem CID20914453
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)cc1
InChIInChI=1S/C28H26N4O3/c1-4-19-11-13-20(14-12-19)29-24(33)17-31-25-22-16-18(2)10-15-23(22)30(3)26(25)27(34)32(28(31)35)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,29,33)
InChIKeyMFQDKRDWGUIHIB-UHFFFAOYSA-N
XLogP4.15
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20914467
2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16811548
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46276528
N-(3,5-dimethylphenyl)-2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]acetamide
CID 20914528
1-[(4-fluorophenyl)methyl]-5,8-dimethyl-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914460
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
3-(3-chlorophenyl)-5,8-dimethyl-1-propylpyrimido[5,4-b]indole-2,4-dione
CID 20914425
1-[(4-chlorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 16811560
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 91906853
2-(3-benzyl-5,8-dimethyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 22424070
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 17147912
3-(3-chlorophenyl)-1-[(4-ethenylphenyl)methyl]-5,8-dimethylpyrimido[5,4-b]indole-2,4-dione
CID 20914426

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide (CID 20914453) is 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)cc1.
What is the InChIKey of 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is MFQDKRDWGUIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-4-19-11-13-20(14-12-19)29-24(33)17-31-25-22-16-18(2)10-15-23(22)30(3)26(25)27(34)32(28(31)35)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,29,33).
What are the key properties of 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide?
2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 466.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 20914453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).