N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide

C22H28N4O — CID 46954578

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide
SMILESCCC(NC(=O)c1cc2cccc(C)c2nc1C)c1c(C)nn(CC)c1C
InChIInChI=1S/C22H28N4O/c1-7-19(20-15(5)25-26(8-2)16(20)6)24-22(27)18-12-17-11-9-10-13(3)21(17)23-14(18)4/h9-12,19H,7-8H2,1-6H3,(H,24,27)
InChIKeyFGXOFWRRKARWGU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide (PubChem CID 46954578) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide
PubChem CID46954578
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide
SMILESCCC(NC(=O)c1cc2cccc(C)c2nc1C)c1c(C)nn(CC)c1C
InChIInChI=1S/C22H28N4O/c1-7-19(20-15(5)25-26(8-2)16(20)6)24-22(27)18-12-17-11-9-10-13(3)21(17)23-14(18)4/h9-12,19H,7-8H2,1-6H3,(H,24,27)
InChIKeyFGXOFWRRKARWGU-UHFFFAOYSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide (CID 46954578) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide is CCC(NC(=O)c1cc2cccc(C)c2nc1C)c1c(C)nn(CC)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide?
The InChIKey is FGXOFWRRKARWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-7-19(20-15(5)25-26(8-2)16(20)6)24-22(27)18-12-17-11-9-10-13(3)21(17)23-14(18)4/h9-12,19H,7-8H2,1-6H3,(H,24,27).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 46954578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).