5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one

C23H17N3O — CID 11382554

IUPAC5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
SMILESNc1cccc(-c2ccc3c(c2)C(c2ccc4ccccc4n2)C(=O)N3)c1
InChIInChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-9-10-20-18(13-16)22(23(27)26-20)21-11-8-14-4-1-2-7-19(14)25-21/h1-13,22H,24H2,(H,26,27)
InChIKeyIECLCLXYXBCBIX-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.57
Rot. Bonds2

About 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one

5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one (PubChem CID 11382554) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
PubChem CID11382554
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
SMILESNc1cccc(-c2ccc3c(c2)C(c2ccc4ccccc4n2)C(=O)N3)c1
InChIInChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-9-10-20-18(13-16)22(23(27)26-20)21-11-8-14-4-1-2-7-19(14)25-21/h1-13,22H,24H2,(H,26,27)
InChIKeyIECLCLXYXBCBIX-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

6-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 11291078
5-(3-fluorophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 11210420
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-quinolin-2-yl-1,3-dihydroindol-2-one
CID 58723455
N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
CID 11372625
3-(2-oxo-1H-pyridin-3-yl)-4-quinolin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 172996468
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
CID 157040138
3-acridin-9-ylaniline
CID 87131444
4-(3-aminophenyl)-1H-benzo[h]quinazolin-2-one;hydrochloride
CID 56651010
4,5,6,7-tetrachloroisoindole-1,3-dione;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
CID 174831755

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one (CID 11382554) is 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one is Nc1cccc(-c2ccc3c(c2)C(c2ccc4ccccc4n2)C(=O)N3)c1.
What is the InChIKey of 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
The InChIKey is IECLCLXYXBCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c24-17-6-3-5-15(12-17)16-9-10-20-18(13-16)22(23(27)26-20)21-11-8-14-4-1-2-7-19(14)25-21/h1-13,22H,24H2,(H,26,27).
What are the key properties of 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one?
5-(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 5-(3-aminophenyl)-3-quinolin-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 11382554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).