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

C22H28N2O2 — CID 155519653

IUPAC4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC(C)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C22H28N2O2/c1-5-13(2)19-20(22(26)24-16-10-7-6-9-14(16)3)15(4)23-17-11-8-12-18(25)21(17)19/h6-7,9-10,13,19,23H,5,8,11-12H2,1-4H3,(H,24,26)
InChIKeyXXHAOEBDJOPGRH-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.48
Rot. Bonds4

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

4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155519653) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155519653
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC(C)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C22H28N2O2/c1-5-13(2)19-20(22(26)24-16-10-7-6-9-14(16)3)15(4)23-17-11-8-12-18(25)21(17)19/h6-7,9-10,13,19,23H,5,8,11-12H2,1-4H3,(H,24,26)
InChIKeyXXHAOEBDJOPGRH-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 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155519653) is 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCC(C)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XXHAOEBDJOPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-13(2)19-20(22(26)24-16-10-7-6-9-14(16)3)15(4)23-17-11-8-12-18(25)21(17)19/h6-7,9-10,13,19,23H,5,8,11-12H2,1-4H3,(H,24,26).
What are the key properties of 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-butan-2-yl-2-methyl-N-(2-methylphenyl)-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 4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155519653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).