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

C25H26N2O2 — CID 3144722

IUPAC2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
InChIKeyJWQWIHXBHQECLZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.91
Rot. Bonds3

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

2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3144722) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3144722
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29)
InChIKeyJWQWIHXBHQECLZ-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.91
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-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3144722) is 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is JWQWIHXBHQECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-15-11-13-18(14-12-15)23-22(25(29)27-19-8-5-4-7-16(19)2)17(3)26-20-9-6-10-21(28)24(20)23/h4-5,7-8,11-14,23,26H,6,9-10H2,1-3H3,(H,27,29).
What are the key properties of 2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.91, 3 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-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3144722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).