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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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).