3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile

C16H13N3O — CID 2875132

IUPAC3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-16(10-17)13-4-2-3-5-14(13)18-15(16)20/h2-9,19H,1H3,(H,18,20)
InChIKeyLOQUXPIMUMSWFA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.78
Rot. Bonds2

About 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile

3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile (PubChem CID 2875132) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile
PubChem CID2875132
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-16(10-17)13-4-2-3-5-14(13)18-15(16)20/h2-9,19H,1H3,(H,18,20)
InChIKeyLOQUXPIMUMSWFA-UHFFFAOYSA-N
XLogP2.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
3-(3,4-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153364
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099
3,3-Diphenyloxindole
CID 3474538

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile (CID 2875132) is 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile is Cc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is LOQUXPIMUMSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-16(10-17)13-4-2-3-5-14(13)18-15(16)20/h2-9,19H,1H3,(H,18,20).
What are the key properties of 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 2875132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).