1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide

C24H19ClN2O4 — CID 23855524

IUPAC1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H19ClN2O4/c25-16-9-11-17(12-10-16)27-20-7-4-8-21(28)18(20)13-19(24(27)31)23(30)26-14-22(29)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,30)
InChIKeyNHMUUHYUHFMMCR-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide

1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 23855524) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID23855524
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Name1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H19ClN2O4/c25-16-9-11-17(12-10-16)27-20-7-4-8-21(28)18(20)13-19(24(27)31)23(30)26-14-22(29)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,30)
InChIKeyNHMUUHYUHFMMCR-UHFFFAOYSA-N
XLogP3.62
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 23855524) is 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide is O=C(CNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is NHMUUHYUHFMMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c25-16-9-11-17(12-10-16)27-20-7-4-8-21(28)18(20)13-19(24(27)31)23(30)26-14-22(29)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide?
1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 23855524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).