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

C21H26N2O2 — CID 155526048

IUPAC2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H26N2O2/c1-4-8-15-19(21(25)23-16-10-6-5-9-13(16)2)14(3)22-17-11-7-12-18(24)20(15)17/h5-6,9-10,15,22H,4,7-8,11-12H2,1-3H3,(H,23,25)
InChIKeyZCSQXXUXMHTANR-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.23
Rot. Bonds4

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

2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155526048) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155526048
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H26N2O2/c1-4-8-15-19(21(25)23-16-10-6-5-9-13(16)2)14(3)22-17-11-7-12-18(24)20(15)17/h5-6,9-10,15,22H,4,7-8,11-12H2,1-3H3,(H,23,25)
InChIKeyZCSQXXUXMHTANR-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.23
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)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155526048) is 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is ZCSQXXUXMHTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-8-15-19(21(25)23-16-10-6-5-9-13(16)2)14(3)22-17-11-7-12-18(24)20(15)17/h5-6,9-10,15,22H,4,7-8,11-12H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.23, 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)-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).