1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one

C17H17NO2 — CID 141342791

IUPAC1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
SMILESCCN1C(=O)C(c2cccc(OC)c2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-18-15-10-5-4-9-14(15)16(17(18)19)12-7-6-8-13(11-12)20-2/h4-11,16H,3H2,1-2H3
InChIKeySIQUMNZQPOZZNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds3

About 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one

1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one (PubChem CID 141342791) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
PubChem CID141342791
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
SMILESCCN1C(=O)C(c2cccc(OC)c2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-18-15-10-5-4-9-14(15)16(17(18)19)12-7-6-8-13(11-12)20-2/h4-11,16H,3H2,1-2H3
InChIKeySIQUMNZQPOZZNZ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one
CID 132504937
ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181888
N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
CID 68638117
3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141266731
1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065927
(9R,18S,27R)-9,18,27-tris(3-methoxyphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11592706
3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one
CID 178074922
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one?
The IUPAC name of 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one (CID 141342791) is 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one is CCN1C(=O)C(c2cccc(OC)c2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one?
The InChIKey is SIQUMNZQPOZZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-18-15-10-5-4-9-14(15)16(17(18)19)12-7-6-8-13(11-12)20-2/h4-11,16H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one?
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one is sourced from PubChem (CID 141342791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).