3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one

C20H17NO2 — CID 139780200

IUPAC3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C2C(=O)Nc3ccccc32)c2ccccc12
InChIInChI=1S/C20H17NO2/c1-2-23-18-12-11-15(13-7-3-4-8-14(13)18)19-16-9-5-6-10-17(16)21-20(19)22/h3-12,19H,2H2,1H3,(H,21,22)
InChIKeyCZIRYKDTPRKDJK-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.32
Rot. Bonds3

About 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one

3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one (PubChem CID 139780200) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
PubChem CID139780200
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C2C(=O)Nc3ccccc32)c2ccccc12
InChIInChI=1S/C20H17NO2/c1-2-23-18-12-11-15(13-7-3-4-8-14(13)18)19-16-9-5-6-10-17(16)21-20(19)22/h3-12,19H,2H2,1H3,(H,21,22)
InChIKeyCZIRYKDTPRKDJK-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
5-ethoxy-1H-benzo[cd]indol-2-one
CID 23460821
(4R)-4-(4-ethoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 832291
(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367123
3-amino-6-(2-ethoxyphenoxy)-1,3-dihydroindol-2-one
CID 63370491
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
4-(4-ethoxynaphthalen-1-yl)-N,N,6-trimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 53277852
ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
1-ethoxyphenanthrene
CID 19828992

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one (CID 139780200) is 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one is CCOc1ccc(C2C(=O)Nc3ccccc32)c2ccccc12.
What is the InChIKey of 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is CZIRYKDTPRKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-23-18-12-11-15(13-7-3-4-8-14(13)18)19-16-9-5-6-10-17(16)21-20(19)22/h3-12,19H,2H2,1H3,(H,21,22).
What are the key properties of 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one?
3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 303.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 139780200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).