3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide

C21H26N4O — CID 169420107

IUPAC3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
SMILESCCn1ncc(-c2cc(C)c3cc(CCC(=O)N(C)C)ccc3n2)c1C
InChIInChI=1S/C21H26N4O/c1-6-25-15(3)18(13-22-25)20-11-14(2)17-12-16(7-9-19(17)23-20)8-10-21(26)24(4)5/h7,9,11-13H,6,8,10H2,1-5H3
InChIKeyZJJSSGMRRRVNQJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.76
Rot. Bonds5

About 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide

3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide (PubChem CID 169420107) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
PubChem CID169420107
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
SMILESCCn1ncc(-c2cc(C)c3cc(CCC(=O)N(C)C)ccc3n2)c1C
InChIInChI=1S/C21H26N4O/c1-6-25-15(3)18(13-22-25)20-11-14(2)17-12-16(7-9-19(17)23-20)8-10-21(26)24(4)5/h7,9,11-13H,6,8,10H2,1-5H3
InChIKeyZJJSSGMRRRVNQJ-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(5-methyl-1-prop-2-enylpyrazol-4-yl)quinolin-6-yl]ethanol
CID 169419573
N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide
CID 170508008
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512121
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide (CID 169420107) is 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide is CCn1ncc(-c2cc(C)c3cc(CCC(=O)N(C)C)ccc3n2)c1C.
What is the InChIKey of 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide?
The InChIKey is ZJJSSGMRRRVNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-6-25-15(3)18(13-22-25)20-11-14(2)17-12-16(7-9-19(17)23-20)8-10-21(26)24(4)5/h7,9,11-13H,6,8,10H2,1-5H3.
What are the key properties of 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide?
3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide has a molecular weight of 350.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 169420107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).