ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane

C22H28N2O2 — CID 90785095

IUPACethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
SMILESCC.CCC.Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O2.C3H8.C2H6/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20;1-3-2;1-2/h2-10H,1H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3
InChIKeyYVZRUTMUGBTOHN-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.53
Rot. Bonds2

About ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane

ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane (PubChem CID 90785095) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
PubChem CID90785095
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Nameethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
SMILESCC.CCC.Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O2.C3H8.C2H6/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20;1-3-2;1-2/h2-10H,1H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3
InChIKeyYVZRUTMUGBTOHN-UHFFFAOYSA-N
XLogP5.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396
ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 90755092
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55965165
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-[2-(furan-3-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675664
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane?
The IUPAC name of ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane (CID 90785095) is ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane.
What is the SMILES notation for ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane?
The canonical SMILES for ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane is CC.CCC.Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane?
The InChIKey is YVZRUTMUGBTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C3H8.C2H6/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20;1-3-2;1-2/h2-10H,1H3,(H,18,20)(H,19,21);3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane?
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane has a molecular weight of 352.48 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane is sourced from PubChem (CID 90785095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).