2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

C24H20N2O4 — CID 1290076

IUPAC2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H20N2O4/c27-21-13-7-12-20-18(21)14-19(24(30)26(20)17-10-5-2-6-11-17)23(29)25-15-22(28)16-8-3-1-4-9-16/h1-6,8-11,14H,7,12-13,15H2,(H,25,29)
InChIKeyZSLHHQIGZKSRMB-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.97
Rot. Bonds5

About 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 1290076) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID1290076
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H20N2O4/c27-21-13-7-12-20-18(21)14-19(24(30)26(20)17-10-5-2-6-11-17)23(29)25-15-22(28)16-8-3-1-4-9-16/h1-6,8-11,14H,7,12-13,15H2,(H,25,29)
InChIKeyZSLHHQIGZKSRMB-UHFFFAOYSA-N
XLogP2.97
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 1290076) is 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is O=C(CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O)c1ccccc1.
What is the InChIKey of 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is ZSLHHQIGZKSRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-21-13-7-12-20-18(21)14-19(24(30)26(20)17-10-5-2-6-11-17)23(29)25-15-22(28)16-8-3-1-4-9-16/h1-6,8-11,14H,7,12-13,15H2,(H,25,29).
What are the key properties of 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-phenacyl-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 1290076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).