N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H25N3O3 — CID 55892603

IUPACN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-4-22(2,3)25-20(27)14-9-11-15(12-10-14)23-21(28)17-13-19(26)24-18-8-6-5-7-16(17)18/h5-12,17H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKTUWIDXAYNEHBZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 55892603) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID55892603
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-4-22(2,3)25-20(27)14-9-11-15(12-10-14)23-21(28)17-13-19(26)24-18-8-6-5-7-16(17)18/h5-12,17H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyKTUWIDXAYNEHBZ-UHFFFAOYSA-N
XLogP3.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 55892603) is N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KTUWIDXAYNEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-22(2,3)25-20(27)14-9-11-15(12-10-14)23-21(28)17-13-19(26)24-18-8-6-5-7-16(17)18/h5-12,17H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55892603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).