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

C19H18N2O4 — CID 66495324

IUPACN-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O
InChIInChI=1S/C19H18N2O4/c1-10-7-16-13(17(23)8-10)9-14(19(25)21-16)18(24)20-15-6-4-3-5-12(15)11(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVTYJRJKNTAPRJH-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.59
Rot. Bonds3

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

N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495324) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495324
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O
InChIInChI=1S/C19H18N2O4/c1-10-7-16-13(17(23)8-10)9-14(19(25)21-16)18(24)20-15-6-4-3-5-12(15)11(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVTYJRJKNTAPRJH-UHFFFAOYSA-N
XLogP2.59
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920687
7-methyl-2,5-dioxo-N-quinolin-5-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054909
(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95554626
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
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
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495324) is N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O.
What is the InChIKey of N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VTYJRJKNTAPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-10-7-16-13(17(23)8-10)9-14(19(25)21-16)18(24)20-15-6-4-3-5-12(15)11(2)22/h3-6,9-10H,7-8H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).