2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

C18H24N5O2+ — CID 7518782

IUPAC2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol
SMILESCCOc1ccc2[nH]c3c(N4CC[NH+](CCO)CC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(21-15)18(20-12-19-16)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,21,24H,2,5-10H2,1H3/p+1
InChIKeyUSJLXJZOCGTBDG-UHFFFAOYSA-O
MW342.42 g/mol
LogP0.21
Rot. Bonds5

About 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol (PubChem CID 7518782) has the molecular formula C18H24N5O2+ and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol
PubChem CID7518782
Molecular FormulaC18H24N5O2+
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol
SMILESCCOc1ccc2[nH]c3c(N4CC[NH+](CCO)CC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(21-15)18(20-12-19-16)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,21,24H,2,5-10H2,1H3/p+1
InChIKeyUSJLXJZOCGTBDG-UHFFFAOYSA-O
XLogP0.21
TPSA78.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol with MolForge

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Related Compounds

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
CID 2030227
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 940941
4-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
CID 7506397
8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7688906
8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole
CID 6956988
7-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole
CID 2015860
4-[4-(3-methoxyphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 3851961
8-bromo-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 3846847
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137
4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
CID 949145
2-[4-(6-bromoquinazolin-4-yl)piperazin-1-ium-1-yl]ethanol
CID 4225385

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol (CID 7518782) is 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol is CCOc1ccc2[nH]c3c(N4CC[NH+](CCO)CC4)ncnc3c2c1.
What is the InChIKey of 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol?
The InChIKey is USJLXJZOCGTBDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(21-15)18(20-12-19-16)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,21,24H,2,5-10H2,1H3/p+1.
What are the key properties of 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol?
2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol has a molecular weight of 342.42 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 7518782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).