2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H28N2O2 — CID 155534079

IUPAC2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(CC(C)C)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H28N2O2/c1-13(2)12-16-20(22(26)24-17-9-6-5-8-14(17)3)15(4)23-18-10-7-11-19(25)21(16)18/h5-6,8-9,13,16,23H,7,10-12H2,1-4H3,(H,24,26)
InChIKeyWANKUDAVLWNZIU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.48
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155534079) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155534079
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(CC(C)C)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H28N2O2/c1-13(2)12-16-20(22(26)24-17-9-6-5-8-14(17)3)15(4)23-18-10-7-11-19(25)21(16)18/h5-6,8-9,13,16,23H,7,10-12H2,1-4H3,(H,24,26)
InChIKeyWANKUDAVLWNZIU-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155534079) is 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(CC(C)C)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WANKUDAVLWNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-13(2)12-16-20(22(26)24-17-9-6-5-8-14(17)3)15(4)23-18-10-7-11-19(25)21(16)18/h5-6,8-9,13,16,23H,7,10-12H2,1-4H3,(H,24,26).
What are the key properties of 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155534079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).