2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide

C21H26N4O — CID 169420696

IUPAC2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2nc(-c3c(C)nn(C(C)C)c3C)cc(C)c2c1
InChIInChI=1S/C21H26N4O/c1-12(2)25-15(5)21(14(4)24-25)19-9-13(3)17-10-16(11-20(26)22-6)7-8-18(17)23-19/h7-10,12H,11H2,1-6H3,(H,22,26)
InChIKeyLYFAVLAXNAPZSB-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.89
Rot. Bonds4

About 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide

2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide (PubChem CID 169420696) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
PubChem CID169420696
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2nc(-c3c(C)nn(C(C)C)c3C)cc(C)c2c1
InChIInChI=1S/C21H26N4O/c1-12(2)25-15(5)21(14(4)24-25)19-9-13(3)17-10-16(11-20(26)22-6)7-8-18(17)23-19/h7-10,12H,11H2,1-6H3,(H,22,26)
InChIKeyLYFAVLAXNAPZSB-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide (CID 169420696) is 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide is CNC(=O)Cc1ccc2nc(-c3c(C)nn(C(C)C)c3C)cc(C)c2c1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide?
The InChIKey is LYFAVLAXNAPZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-12(2)25-15(5)21(14(4)24-25)19-9-13(3)17-10-16(11-20(26)22-6)7-8-18(17)23-19/h7-10,12H,11H2,1-6H3,(H,22,26).
What are the key properties of 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide?
2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide has a molecular weight of 350.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide is sourced from PubChem (CID 169420696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).