N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide

C18H20N4O2 — CID 134713157

IUPACN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCc1nn(C)c(NC(=O)c2cc3ccccc3n(C)c2=O)c1C
InChIInChI=1S/C18H20N4O2/c1-5-14-11(2)16(22(4)20-14)19-17(23)13-10-12-8-6-7-9-15(12)21(3)18(13)24/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyHUKPBHBCKCFUHD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.40
Rot. Bonds3

About N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide

N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 134713157) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID134713157
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCc1nn(C)c(NC(=O)c2cc3ccccc3n(C)c2=O)c1C
InChIInChI=1S/C18H20N4O2/c1-5-14-11(2)16(22(4)20-14)19-17(23)13-10-12-8-6-7-9-15(12)21(3)18(13)24/h6-10H,5H2,1-4H3,(H,19,23)
InChIKeyHUKPBHBCKCFUHD-UHFFFAOYSA-N
XLogP2.40
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 134713157) is N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide is CCc1nn(C)c(NC(=O)c2cc3ccccc3n(C)c2=O)c1C.
What is the InChIKey of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is HUKPBHBCKCFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-5-14-11(2)16(22(4)20-14)19-17(23)13-10-12-8-6-7-9-15(12)21(3)18(13)24/h6-10H,5H2,1-4H3,(H,19,23).
What are the key properties of N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 134713157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).