N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C23H27N3O4 — CID 56560157

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C23H27N3O4/c1-5-14-8-6-7-9-17(14)24-20(28)13-26(4)22(30)16-10-15-18(25-21(16)29)11-23(2,3)12-19(15)27/h6-10H,5,11-13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyFATZGLOYJQWJAX-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56560157) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56560157
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C23H27N3O4/c1-5-14-8-6-7-9-17(14)24-20(28)13-26(4)22(30)16-10-15-18(25-21(16)29)11-23(2,3)12-19(15)27/h6-10H,5,11-13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyFATZGLOYJQWJAX-UHFFFAOYSA-N
XLogP2.80
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567423
N-[2-(ethylaminomethyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119439243
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567475
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559637
7,7-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560086
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 51163473

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56560157) is N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is FATZGLOYJQWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-14-8-6-7-9-17(14)24-20(28)13-26(4)22(30)16-10-15-18(25-21(16)29)11-23(2,3)12-19(15)27/h6-10H,5,11-13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56560157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).