N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide

C20H18N4O2 — CID 56826928

IUPACN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H18N4O2/c1-24-17-9-8-15(11-14(17)7-10-18(24)25)22-20(26)16-12-21-23-19(16)13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,23)(H,22,26)
InChIKeyZGFASPLRNZTWJC-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.24
Rot. Bonds3

About N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 56826928) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID56826928
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H18N4O2/c1-24-17-9-8-15(11-14(17)7-10-18(24)25)22-20(26)16-12-21-23-19(16)13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,23)(H,22,26)
InChIKeyZGFASPLRNZTWJC-UHFFFAOYSA-N
XLogP3.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 56826928) is N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide is CN1C(=O)CCc2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc21.
What is the InChIKey of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZGFASPLRNZTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-17-9-8-15(11-14(17)7-10-18(24)25)22-20(26)16-12-21-23-19(16)13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56826928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).