N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide

C22H23N3O3 — CID 39920536

IUPACN-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25(4)22(28)17-11-23-18-8-6-5-7-16(18)21(17)27/h5-11H,12H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyJOGWPXFKVHIHEH-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.16
Rot. Bonds4

About N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide

N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 39920536) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
PubChem CID39920536
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25(4)22(28)17-11-23-18-8-6-5-7-16(18)21(17)27/h5-11H,12H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyJOGWPXFKVHIHEH-UHFFFAOYSA-N
XLogP3.16
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(trifluoromethyl)benzamide
CID 27783992
N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 16605709
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891
2-(3,4-dimethylbenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835377
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide (CID 39920536) is N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is JOGWPXFKVHIHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25(4)22(28)17-11-23-18-8-6-5-7-16(18)21(17)27/h5-11H,12H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide?
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39920536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).