3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

C16H18N4O2 — CID 658663

IUPAC3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2ncn1CCN1CCOCC1
InChIInChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2
InChIKeyUZBUPUJJOXINRE-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.21
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 658663) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID658663
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESO=c1c2[nH]c3ccccc3c2ncn1CCN1CCOCC1
InChIInChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2
InChIKeyUZBUPUJJOXINRE-UHFFFAOYSA-N
XLogP1.21
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-morpholin-4-ylethyl)-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 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (CID 658663) is 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is O=c1c2[nH]c3ccccc3c2ncn1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is UZBUPUJJOXINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 658663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).