3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one

C22H16N2O2 — CID 178161939

IUPAC3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESC#Cc1cccc2c1NC(=O)C2(c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O2/c1-2-14-4-3-5-19-20(14)24-21(26)22(19,15-6-10-17(23)11-7-15)16-8-12-18(25)13-9-16/h1,3-13,25H,23H2,(H,24,26)
InChIKeyAGXAMGOHRDYIDK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.24
Rot. Bonds2

About 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one

3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 178161939) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID178161939
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESC#Cc1cccc2c1NC(=O)C2(c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O2/c1-2-14-4-3-5-19-20(14)24-21(26)22(19,15-6-10-17(23)11-7-15)16-8-12-18(25)13-9-16/h1,3-13,25H,23H2,(H,24,26)
InChIKeyAGXAMGOHRDYIDK-UHFFFAOYSA-N
XLogP3.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-azidophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 178161983
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
CID 88715344
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57254489
3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25061074
2-amino-5-[4-[9-[4-(4-amino-3-hydroxyphenoxy)phenyl]-1-ethynylfluoren-9-yl]phenoxy]phenol
CID 139999483
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 172554047
6-[6,7-difluoro-3-(4-hydroxyphenyl)-2-oxo-1H-indol-3-yl]-3H-1,3-benzoxazol-2-one
CID 172554036
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 141279487
3-(3,3-diaminohept-6-ynyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 178161960
aniline;benzene;benzene-1,4-diol
CID 175585204
6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one
CID 25059514

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 178161939) is 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one is C#Cc1cccc2c1NC(=O)C2(c1ccc(N)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is AGXAMGOHRDYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-2-14-4-3-5-19-20(14)24-21(26)22(19,15-6-10-17(23)11-7-15)16-8-12-18(25)13-9-16/h1,3-13,25H,23H2,(H,24,26).
What are the key properties of 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-7-ethynyl-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 178161939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).