2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one

C24H23N3O — CID 44533502

IUPAC2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one
SMILESO=c1cc(NCCNCc2cccc(-c3ccccc3)c2)[nH]c2ccccc12
InChIInChI=1S/C24H23N3O/c28-23-16-24(27-22-12-5-4-11-21(22)23)26-14-13-25-17-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15-16,25H,13-14,17H2,(H2,26,27,28)
InChIKeyNUCACACTZNOFCG-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.40
Rot. Bonds7

About 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one

2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one (PubChem CID 44533502) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one
PubChem CID44533502
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one
SMILESO=c1cc(NCCNCc2cccc(-c3ccccc3)c2)[nH]c2ccccc12
InChIInChI=1S/C24H23N3O/c28-23-16-24(27-22-12-5-4-11-21(22)23)26-14-13-25-17-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15-16,25H,13-14,17H2,(H2,26,27,28)
InChIKeyNUCACACTZNOFCG-UHFFFAOYSA-N
XLogP4.40
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one?
The IUPAC name of 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one (CID 44533502) is 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one is O=c1cc(NCCNCc2cccc(-c3ccccc3)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one?
The InChIKey is NUCACACTZNOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-23-16-24(27-22-12-5-4-11-21(22)23)26-14-13-25-17-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15-16,25H,13-14,17H2,(H2,26,27,28).
What are the key properties of 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one?
2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one has a molecular weight of 369.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one is sourced from PubChem (CID 44533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).