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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Related Compounds

9-methoxy-5H-pyrimido[5,4-b]indol-4-ol
CID 135448689
6-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 378228
N-(2-hydroxyethyl)-2-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
CID 44583036
3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
CID 4013695
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CID 27842480
7-methoxy-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 937984
methyl 3-{[(1E)-(dimethylamino)methylene]amino}-6-methoxy-1H-indole-2-carboxylate
CID 3754545
2-Methoxyruteacaprine
CID 135427256
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
(5-Methoxy-1H-indol-2-yl)(morpholin-4-yl)methanone
CID 206875

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).