1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one

C18H20N2O3 — CID 86300399

IUPAC1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one
SMILESCCN1C(=O)C(O)(Cc2ncccc2OC)c2cc(C)ccc21
InChIInChI=1S/C18H20N2O3/c1-4-20-15-8-7-12(2)10-13(15)18(22,17(20)21)11-14-16(23-3)6-5-9-19-14/h5-10,22H,4,11H2,1-3H3
InChIKeyXTXAWENXGSEOKS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.20
Rot. Bonds4

About 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one

1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one (PubChem CID 86300399) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one
PubChem CID86300399
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one
SMILESCCN1C(=O)C(O)(Cc2ncccc2OC)c2cc(C)ccc21
InChIInChI=1S/C18H20N2O3/c1-4-20-15-8-7-12(2)10-13(15)18(22,17(20)21)11-14-16(23-3)6-5-9-19-14/h5-10,22H,4,11H2,1-3H3
InChIKeyXTXAWENXGSEOKS-UHFFFAOYSA-N
XLogP2.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 6499625
(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444645
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 26414005
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
1'-ethyl-5'-methyl-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylic acid
CID 165483402
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
(3R)-5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1300345
ethane;2-ethyl-3-methoxypyridine
CID 144504427
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
(3S)-5-bromo-1-butyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 41138573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one?
The IUPAC name of 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one (CID 86300399) is 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one?
The canonical SMILES for 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one is CCN1C(=O)C(O)(Cc2ncccc2OC)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one?
The InChIKey is XTXAWENXGSEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-20-15-8-7-12(2)10-13(15)18(22,17(20)21)11-14-16(23-3)6-5-9-19-14/h5-10,22H,4,11H2,1-3H3.
What are the key properties of 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one?
1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one is sourced from PubChem (CID 86300399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).