3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide

C23H24N4O5 — CID 30849215

IUPAC3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-4-32-15-7-5-14(6-8-15)25-20(28)9-10-27-13-24-21-16-11-18(30-2)19(31-3)12-17(16)26-22(21)23(27)29/h5-8,11-13,26H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyFOGZPWLWARUTST-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.32
Rot. Bonds8

About 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide

3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 30849215) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide
PubChem CID30849215
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-4-32-15-7-5-14(6-8-15)25-20(28)9-10-27-13-24-21-16-11-18(30-2)19(31-3)12-17(16)26-22(21)23(27)29/h5-8,11-13,26H,4,9-10H2,1-3H3,(H,25,28)
InChIKeyFOGZPWLWARUTST-UHFFFAOYSA-N
XLogP3.32
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028186
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 53028303
2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 30849236
2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 30849242
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93058191
N-[(2-chlorophenyl)methyl]-3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028242
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-methylcyclohexyl)propanamide
CID 53028252
N-(3,5-dimethylphenyl)-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 18525593
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525529
3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
CID 4252942
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide (CID 30849215) is 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1.
What is the InChIKey of 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is FOGZPWLWARUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-4-32-15-7-5-14(6-8-15)25-20(28)9-10-27-13-24-21-16-11-18(30-2)19(31-3)12-17(16)26-22(21)23(27)29/h5-8,11-13,26H,4,9-10H2,1-3H3,(H,25,28).
What are the key properties of 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide?
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 436.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 30849215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).