1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone

C16H14N2O3 — CID 118738076

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone
SMILESCOc1ccc2[nH]cc(C(=O)COc3ccncc3)c2c1
InChIInChI=1S/C16H14N2O3/c1-20-12-2-3-15-13(8-12)14(9-18-15)16(19)10-21-11-4-6-17-7-5-11/h2-9,18H,10H2,1H3
InChIKeyHQZXFUGUFAFHSU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.83
Rot. Bonds5

About 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone

1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone (PubChem CID 118738076) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone
PubChem CID118738076
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone
SMILESCOc1ccc2[nH]cc(C(=O)COc3ccncc3)c2c1
InChIInChI=1S/C16H14N2O3/c1-20-12-2-3-15-13(8-12)14(9-18-15)16(19)10-21-11-4-6-17-7-5-11/h2-9,18H,10H2,1H3
InChIKeyHQZXFUGUFAFHSU-UHFFFAOYSA-N
XLogP2.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh 302
CID 11493740
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
Methyl 5-Hydroxy-1H-Indole-3-Carboxylate
CID 14144546
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
Methyl alpha-(aminomethyl)-5-methoxy-1H-indole-3-acetate
CID 71987
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336
Arenarine C
CID 188439
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone (CID 118738076) is 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone is COc1ccc2[nH]cc(C(=O)COc3ccncc3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone?
The InChIKey is HQZXFUGUFAFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-2-3-15-13(8-12)14(9-18-15)16(19)10-21-11-4-6-17-7-5-11/h2-9,18H,10H2,1H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone?
1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone has a molecular weight of 282.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-pyridin-4-yloxyethanone is sourced from PubChem (CID 118738076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).