N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide

C22H24N2O2 — CID 18120133

IUPACN,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CCOc3ccccc3C)c2c1
InChIInChI=1S/C22H24N2O2/c1-15-9-10-20-18(13-15)19(14-17(3)23-20)22(25)24(4)11-12-26-21-8-6-5-7-16(21)2/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNPNUHMDGRZICSC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds5

About N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide

N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide (PubChem CID 18120133) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
PubChem CID18120133
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CCOc3ccccc3C)c2c1
InChIInChI=1S/C22H24N2O2/c1-15-9-10-20-18(13-15)19(14-17(3)23-20)22(25)24(4)11-12-26-21-8-6-5-7-16(21)2/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNPNUHMDGRZICSC-UHFFFAOYSA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N-(2-methoxyethyl)-N,2,7-trimethylquinoline-4-carboxamide
CID 46984652
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
CID 106853383
N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide
CID 55664290
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide (CID 18120133) is N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)N(C)CCOc3ccccc3C)c2c1.
What is the InChIKey of N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide?
The InChIKey is NPNUHMDGRZICSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-9-10-20-18(13-15)19(14-17(3)23-20)22(25)24(4)11-12-26-21-8-6-5-7-16(21)2/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide?
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 18120133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).