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

C19H20N2O3 — CID 56920687

IUPACN-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-10-4-5-15(12(3)6-10)20-18(23)14-9-13-16(21-19(14)24)7-11(2)8-17(13)22/h4-6,9,11H,7-8H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFJKJVQMBAOVOCO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.01
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 56920687) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID56920687
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-10-4-5-15(12(3)6-10)20-18(23)14-9-13-16(21-19(14)24)7-11(2)8-17(13)22/h4-6,9,11H,7-8H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFJKJVQMBAOVOCO-UHFFFAOYSA-N
XLogP3.01
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2,4-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086153
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
(7S)-N-(2,5-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920276
(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397499
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563264
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 56920687) is N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FJKJVQMBAOVOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-10-4-5-15(12(3)6-10)20-18(23)14-9-13-16(21-19(14)24)7-11(2)8-17(13)22/h4-6,9,11H,7-8H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 56920687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).