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

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Related Compounds

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CID 65752
Rhetsinine
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(4-ethylpiperazin-1-yl)(1H-indol-2-yl)methanone
CID 11821243
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
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3-(2-Cyclohex-1-enyl-ethyl)-8-fluoro-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 919070
3-(4-Fluoro-benzyl)-5-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 1868403
8-Fluoro-3-(tetrahydro-furan-2-ylmethyl)-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 3785638
ethyl 4-(5-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 4897473

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).