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

C21H24N2O2 — CID 155553549

IUPAC4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(C2CC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H24N2O2/c1-12-6-3-4-7-15(12)23-21(25)18-13(2)22-16-8-5-9-17(24)20(16)19(18)14-10-11-14/h3-4,6-7,14,19,22H,5,8-11H2,1-2H3,(H,23,25)
InChIKeyQBYPAKMWDGWGJS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.84
Rot. Bonds3

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

4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155553549) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155553549
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(C2CC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H24N2O2/c1-12-6-3-4-7-15(12)23-21(25)18-13(2)22-16-8-5-9-17(24)20(16)19(18)14-10-11-14/h3-4,6-7,14,19,22H,5,8-11H2,1-2H3,(H,23,25)
InChIKeyQBYPAKMWDGWGJS-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155553549) is 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(C2CC2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is QBYPAKMWDGWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-12-6-3-4-7-15(12)23-21(25)18-13(2)22-16-8-5-9-17(24)20(16)19(18)14-10-11-14/h3-4,6-7,14,19,22H,5,8-11H2,1-2H3,(H,23,25).
What are the key properties of 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).