N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide

C26H26N2O3 — CID 46382827

IUPACN-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1
InChIInChI=1S/C26H26N2O3/c1-16(2)18-9-13-20(14-10-18)28-23-5-4-6-24(29)21(23)15-22(26(28)31)25(30)27-19-11-7-17(3)8-12-19/h7-16H,4-6H2,1-3H3,(H,27,30)
InChIKeyJRWFFADSWMIUJR-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.04
Rot. Bonds4

About N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide

N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 46382827) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID46382827
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1
InChIInChI=1S/C26H26N2O3/c1-16(2)18-9-13-20(14-10-18)28-23-5-4-6-24(29)21(23)15-22(26(28)31)25(30)27-19-11-7-17(3)8-12-19/h7-16H,4-6H2,1-3H3,(H,27,30)
InChIKeyJRWFFADSWMIUJR-UHFFFAOYSA-N
XLogP5.04
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide (CID 46382827) is N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is JRWFFADSWMIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-16(2)18-9-13-20(14-10-18)28-23-5-4-6-24(29)21(23)15-22(26(28)31)25(30)27-19-11-7-17(3)8-12-19/h7-16H,4-6H2,1-3H3,(H,27,30).
What are the key properties of N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 46382827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).