4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one

C27H18N2O2 — CID 3563965

IUPAC4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one
SMILESO=C(C=Cc1ccc2cccnc2c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C27H18N2O2/c30-24(15-13-18-12-14-19-9-6-16-28-23(19)17-18)26-25(20-7-2-1-3-8-20)21-10-4-5-11-22(21)29-27(26)31/h1-17H,(H,29,31)
InChIKeyZOTKFBWPQIKPLK-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.64
Rot. Bonds4

About 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one

4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one (PubChem CID 3563965) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one
PubChem CID3563965
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC Name4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one
SMILESO=C(C=Cc1ccc2cccnc2c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C27H18N2O2/c30-24(15-13-18-12-14-19-9-6-16-28-23(19)17-18)26-25(20-7-2-1-3-8-20)21-10-4-5-11-22(21)29-27(26)31/h1-17H,(H,29,31)
InChIKeyZOTKFBWPQIKPLK-UHFFFAOYSA-N
XLogP5.64
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one?
The IUPAC name of 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one (CID 3563965) is 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one?
The canonical SMILES for 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one is O=C(C=Cc1ccc2cccnc2c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one?
The InChIKey is ZOTKFBWPQIKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c30-24(15-13-18-12-14-19-9-6-16-28-23(19)17-18)26-25(20-7-2-1-3-8-20)21-10-4-5-11-22(21)29-27(26)31/h1-17H,(H,29,31).
What are the key properties of 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one?
4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one has a molecular weight of 402.45 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one is sourced from PubChem (CID 3563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).