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

C17H20N4O3 — CID 938420

IUPAC7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCOCC3)cnc12
InChIInChI=1S/C17H20N4O3/c1-23-12-2-3-13-14(10-12)19-16-15(13)18-11-21(17(16)22)5-4-20-6-8-24-9-7-20/h2-3,10-11,19H,4-9H2,1H3
InChIKeyYRXGFLVCXUVGTJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.22
Rot. Bonds4

About 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 938420) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID938420
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCOc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCOCC3)cnc12
InChIInChI=1S/C17H20N4O3/c1-23-12-2-3-13-14(10-12)19-16-15(13)18-11-21(17(16)22)5-4-20-6-8-24-9-7-20/h2-3,10-11,19H,4-9H2,1H3
InChIKeyYRXGFLVCXUVGTJ-UHFFFAOYSA-N
XLogP1.22
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one (CID 938420) is 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCOCC3)cnc12.
What is the InChIKey of 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is YRXGFLVCXUVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-12-2-3-13-14(10-12)19-16-15(13)18-11-21(17(16)22)5-4-20-6-8-24-9-7-20/h2-3,10-11,19H,4-9H2,1H3.
What are the key properties of 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one?
7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 328.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 938420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).