7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one

C18H22N4O3 — CID 932879

IUPAC7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12
InChIInChI=1S/C18H22N4O3/c1-24-13-3-4-14-15(11-13)20-17-16(14)19-12-22(18(17)23)6-2-5-21-7-9-25-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyUQSJPGVBXSDYJG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds5

About 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one

7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 932879) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID932879
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12
InChIInChI=1S/C18H22N4O3/c1-24-13-3-4-14-15(11-13)20-17-16(14)19-12-22(18(17)23)6-2-5-21-7-9-25-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyUQSJPGVBXSDYJG-UHFFFAOYSA-N
XLogP1.61
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (CID 932879) is 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is COc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12.
What is the InChIKey of 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is UQSJPGVBXSDYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-13-3-4-14-15(11-13)20-17-16(14)19-12-22(18(17)23)6-2-5-21-7-9-25-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3.
What are the key properties of 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 342.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 932879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).