N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide

C21H23N3O — CID 170508008

IUPACN,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide
SMILESCc1ccc(-c2cc(C)c3ccc(CCC(=O)N(C)C)cc3n2)nc1
InChIInChI=1S/C21H23N3O/c1-14-5-9-18(22-13-14)20-11-15(2)17-8-6-16(12-19(17)23-20)7-10-21(25)24(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyCUXWBIQBMVPXAE-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.93
Rot. Bonds4

About N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide

N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide (PubChem CID 170508008) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide
PubChem CID170508008
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide
SMILESCc1ccc(-c2cc(C)c3ccc(CCC(=O)N(C)C)cc3n2)nc1
InChIInChI=1S/C21H23N3O/c1-14-5-9-18(22-13-14)20-11-15(2)17-8-6-16(12-19(17)23-20)7-10-21(25)24(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyCUXWBIQBMVPXAE-UHFFFAOYSA-N
XLogP3.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
CID 169420107
2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
CID 169419336
3-(2,4-dimethylquinolin-7-yl)propanoic acid
CID 82577927
N,N-dimethyl-2-[4-methyl-2-(6-oxo-1H-pyridin-3-yl)quinolin-7-yl]acetamide
CID 169421854
3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide
CID 169415281
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
2-[2-(4-hydroxy-2,6-dimethylphenyl)-4-methylquinolin-7-yl]acetamide
CID 170505769
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole
CID 143643335
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide
CID 143283911
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide (CID 170508008) is N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide is Cc1ccc(-c2cc(C)c3ccc(CCC(=O)N(C)C)cc3n2)nc1.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide?
The InChIKey is CUXWBIQBMVPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-5-9-18(22-13-14)20-11-15(2)17-8-6-16(12-19(17)23-20)7-10-21(25)24(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide?
N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide is sourced from PubChem (CID 170508008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).