N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C25H24N2O4 — CID 22426392

IUPACN-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C25H24N2O4/c1-3-15-4-8-18(9-5-15)26-24(29)21-14-20-22(27-25(21)30)12-17(13-23(20)28)16-6-10-19(31-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyJRAGXEBFXFSXDH-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.11
Rot. Bonds5

About N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 22426392) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID22426392
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C25H24N2O4/c1-3-15-4-8-18(9-5-15)26-24(29)21-14-20-22(27-25(21)30)12-17(13-23(20)28)16-6-10-19(31-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyJRAGXEBFXFSXDH-UHFFFAOYSA-N
XLogP4.11
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043652
(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059052
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073913
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29102064

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 22426392) is N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(c2ccc(OC)cc2)CC3=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JRAGXEBFXFSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-3-15-4-8-18(9-5-15)26-24(29)21-14-20-22(27-25(21)30)12-17(13-23(20)28)16-6-10-19(31-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 22426392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).