3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide

C20H24N4O — CID 169418434

IUPAC3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide
SMILESCc1n[nH]c(C)c1-c1cc(C)c2cccc(CCC(=O)N(C)C)c2n1
InChIInChI=1S/C20H24N4O/c1-12-11-17(19-13(2)22-23-14(19)3)21-20-15(7-6-8-16(12)20)9-10-18(25)24(4)5/h6-8,11H,9-10H2,1-5H3,(H,22,23)
InChIKeyBWYXYQRGIKARDP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.57
Rot. Bonds4

About 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide

3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide (PubChem CID 169418434) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide
PubChem CID169418434
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide
SMILESCc1n[nH]c(C)c1-c1cc(C)c2cccc(CCC(=O)N(C)C)c2n1
InChIInChI=1S/C20H24N4O/c1-12-11-17(19-13(2)22-23-14(19)3)21-20-15(7-6-8-16(12)20)9-10-18(25)24(4)5/h6-8,11H,9-10H2,1-5H3,(H,22,23)
InChIKeyBWYXYQRGIKARDP-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide (CID 169418434) is 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide is Cc1n[nH]c(C)c1-c1cc(C)c2cccc(CCC(=O)N(C)C)c2n1.
What is the InChIKey of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide?
The InChIKey is BWYXYQRGIKARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12-11-17(19-13(2)22-23-14(19)3)21-20-15(7-6-8-16(12)20)9-10-18(25)24(4)5/h6-8,11H,9-10H2,1-5H3,(H,22,23).
What are the key properties of 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide?
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-8-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 169418434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).