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

C17H20N4O2 — CID 666735

IUPAC5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
SMILESCn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-19-14-5-3-2-4-13(14)15-16(19)17(22)21(12-18-15)7-6-20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3
InChIKeyLKIDHUIANWWGJF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.22
Rot. Bonds3

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

5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one (PubChem CID 666735) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
PubChem CID666735
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
SMILESCn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-19-14-5-3-2-4-13(14)15-16(19)17(22)21(12-18-15)7-6-20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3
InChIKeyLKIDHUIANWWGJF-UHFFFAOYSA-N
XLogP1.22
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-(2-morpholin-4-ylethyl)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 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The IUPAC name of 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one (CID 666735) is 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one is Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21.
What is the InChIKey of 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The InChIKey is LKIDHUIANWWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-14-5-3-2-4-13(14)15-16(19)17(22)21(12-18-15)7-6-20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3.
What are the key properties of 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one has a molecular weight of 312.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 666735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).