2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid

C17H18N4O4 — CID 120697414

IUPAC2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C17H18N4O4/c1-17(2,16(24)25)21-9-10(8-18-21)19-15(23)12-7-14(22)20-13-6-4-3-5-11(12)13/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyQXUZHPBVVLLQTF-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid (PubChem CID 120697414) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
PubChem CID120697414
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C17H18N4O4/c1-17(2,16(24)25)21-9-10(8-18-21)19-15(23)12-7-14(22)20-13-6-4-3-5-11(12)13/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyQXUZHPBVVLLQTF-UHFFFAOYSA-N
XLogP1.77
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
CID 119199156
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134700379
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid (CID 120697414) is 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)C2CC(=O)Nc3ccccc32)cn1.
What is the InChIKey of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid?
The InChIKey is QXUZHPBVVLLQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-17(2,16(24)25)21-9-10(8-18-21)19-15(23)12-7-14(22)20-13-6-4-3-5-11(12)13/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid has a molecular weight of 342.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120697414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).