6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one

C23H17N3O — CID 11291078

IUPAC6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
SMILESNc1cccc(-c2ccc3c(c2)NC(=O)C3c2ccc3ccccc3n2)c1
InChIInChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-8-10-18-21(13-16)26-23(27)22(18)20-11-9-14-4-1-2-7-19(14)25-20/h1-13,22H,24H2,(H,26,27)
InChIKeyYEJGREVCANTVQP-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.57
Rot. Bonds2

About 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one

6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one (PubChem CID 11291078) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
PubChem CID11291078
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
SMILESNc1cccc(-c2ccc3c(c2)NC(=O)C3c2ccc3ccccc3n2)c1
InChIInChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-8-10-18-21(13-16)26-23(27)22(18)20-11-9-14-4-1-2-7-19(14)25-20/h1-13,22H,24H2,(H,26,27)
InChIKeyYEJGREVCANTVQP-UHFFFAOYSA-N
XLogP4.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 11382554
5-(3-fluorophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 11210420
3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 58723455
5-pyridin-4-yl-3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 11325197
4-(2-oxo-3-quinolin-2-yl-1,3-dihydroindol-5-yl)benzonitrile
CID 11371867
3-(2-oxo-1H-pyridin-3-yl)-4-quinolin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 172996468
N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
CID 11372625
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
3-acridin-9-ylaniline
CID 87131444
4,5,6,7-tetrachloroisoindole-1,3-dione;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
CID 174831755
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one (CID 11291078) is 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one is Nc1cccc(-c2ccc3c(c2)NC(=O)C3c2ccc3ccccc3n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The InChIKey is YEJGREVCANTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-8-10-18-21(13-16)26-23(27)22(18)20-11-9-14-4-1-2-7-19(14)25-20/h1-13,22H,24H2,(H,26,27).
What are the key properties of 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 11291078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).