2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C17H18N4O2 — CID 51096071

IUPAC2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)Cn2ccc(=O)c3ccccc32)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-11(2)13-9-16(20-19-13)18-17(23)10-21-8-7-15(22)12-5-3-4-6-14(12)21/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23)
InChIKeyRBCXBAKCEAZHBS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 51096071) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID51096071
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)Cn2ccc(=O)c3ccccc32)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-11(2)13-9-16(20-19-13)18-17(23)10-21-8-7-15(22)12-5-3-4-6-14(12)21/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23)
InChIKeyRBCXBAKCEAZHBS-UHFFFAOYSA-N
XLogP2.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 51096071) is 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)Cn2ccc(=O)c3ccccc32)n[nH]1.
What is the InChIKey of 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is RBCXBAKCEAZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)13-9-16(20-19-13)18-17(23)10-21-8-7-15(22)12-5-3-4-6-14(12)21/h3-9,11H,10H2,1-2H3,(H2,18,19,20,23).
What are the key properties of 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 51096071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).