1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide

C17H20N4O2 — CID 71842967

IUPAC1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3ccn(CC)n3)ccc21
InChIInChI=1S/C17H20N4O2/c1-3-20-10-9-14(19-20)17(23)18-13-6-7-15-12(11-13)5-8-16(22)21(15)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,23)
InChIKeyFITGBOVGWVYCHL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide

1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide (PubChem CID 71842967) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
PubChem CID71842967
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
SMILESCCN1C(=O)CCc2cc(NC(=O)c3ccn(CC)n3)ccc21
InChIInChI=1S/C17H20N4O2/c1-3-20-10-9-14(19-20)17(23)18-13-6-7-15-12(11-13)5-8-16(22)21(15)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,23)
InChIKeyFITGBOVGWVYCHL-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide (CID 71842967) is 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide is CCN1C(=O)CCc2cc(NC(=O)c3ccn(CC)n3)ccc21.
What is the InChIKey of 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide?
The InChIKey is FITGBOVGWVYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-20-10-9-14(19-20)17(23)18-13-6-7-15-12(11-13)5-8-16(22)21(15)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,23).
What are the key properties of 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide?
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71842967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).