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

C18H22N4O2 — CID 658903

IUPAC8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1
InChIInChI=1S/C18H22N4O2/c1-13-3-4-15-14(11-13)16-17(20-15)18(23)22(12-19-16)6-2-5-21-7-9-24-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyMSIDXFQYDPOFTD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds4

About 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one

8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 658903) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
PubChem CID658903
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1
InChIInChI=1S/C18H22N4O2/c1-13-3-4-15-14(11-13)16-17(20-15)18(23)22(12-19-16)6-2-5-21-7-9-24-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3
InChIKeyMSIDXFQYDPOFTD-UHFFFAOYSA-N
XLogP1.91
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (CID 658903) is 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is Cc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1.
What is the InChIKey of 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is MSIDXFQYDPOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-3-4-15-14(11-13)16-17(20-15)18(23)22(12-19-16)6-2-5-21-7-9-24-10-8-21/h3-4,11-12,20H,2,5-10H2,1H3.
What are the key properties of 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 658903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).