4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one

C34H28N2O4 — CID 110273820

IUPAC4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
SMILESO=c1cc(OCCCCOc2cc(=O)n(-c3ccccc3)c3ccccc23)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C34H28N2O4/c37-33-23-31(27-17-7-9-19-29(27)35(33)25-13-3-1-4-14-25)39-21-11-12-22-40-32-24-34(38)36(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32/h1-10,13-20,23-24H,11-12,21-22H2
InChIKeySFYQLMMPBYAGID-UHFFFAOYSA-N
MW528.61 g/mol
LogP6.53
Rot. Bonds9

About 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one

4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one (PubChem CID 110273820) has the molecular formula C34H28N2O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
PubChem CID110273820
Molecular FormulaC34H28N2O4
Molecular Weight528.61 g/mol
Exact Mass528.20
IUPAC Name4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
SMILESO=c1cc(OCCCCOc2cc(=O)n(-c3ccccc3)c3ccccc23)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C34H28N2O4/c37-33-23-31(27-17-7-9-19-29(27)35(33)25-13-3-1-4-14-25)39-21-11-12-22-40-32-24-34(38)36(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32/h1-10,13-20,23-24H,11-12,21-22H2
InChIKeySFYQLMMPBYAGID-UHFFFAOYSA-N
XLogP6.53
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one?
The IUPAC name of 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one (CID 110273820) is 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one.
What is the SMILES notation for 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one?
The canonical SMILES for 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one is O=c1cc(OCCCCOc2cc(=O)n(-c3ccccc3)c3ccccc23)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one?
The InChIKey is SFYQLMMPBYAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O4/c37-33-23-31(27-17-7-9-19-29(27)35(33)25-13-3-1-4-14-25)39-21-11-12-22-40-32-24-34(38)36(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32/h1-10,13-20,23-24H,11-12,21-22H2.
What are the key properties of 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one?
4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one has a molecular weight of 528.61 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one is sourced from PubChem (CID 110273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).