2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone

C23H26N2O3 — CID 46397281

IUPAC2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3c(c4cc(OC)ccc4n3C)C2)cc1
InChIInChI=1S/C23H26N2O3/c1-4-28-17-7-5-16(6-8-17)13-23(26)25-12-11-22-20(15-25)19-14-18(27-3)9-10-21(19)24(22)2/h5-10,14H,4,11-13,15H2,1-3H3
InChIKeyUPPMWOQCFBVOQA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone

2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone (PubChem CID 46397281) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
PubChem CID46397281
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3c(c4cc(OC)ccc4n3C)C2)cc1
InChIInChI=1S/C23H26N2O3/c1-4-28-17-7-5-16(6-8-17)13-23(26)25-12-11-22-20(15-25)19-14-18(27-3)9-10-21(19)24(22)2/h5-10,14H,4,11-13,15H2,1-3H3
InChIKeyUPPMWOQCFBVOQA-UHFFFAOYSA-N
XLogP3.71
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 139316741
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CID 110412322
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1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
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2-(4-ethoxyphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110742005
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-[2-(4-ethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294085
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone (CID 46397281) is 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone is CCOc1ccc(CC(=O)N2CCc3c(c4cc(OC)ccc4n3C)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone?
The InChIKey is UPPMWOQCFBVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-28-17-7-5-16(6-8-17)13-23(26)25-12-11-22-20(15-25)19-14-18(27-3)9-10-21(19)24(22)2/h5-10,14H,4,11-13,15H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone?
2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone has a molecular weight of 378.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 46397281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).