N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide

C21H22N2O2 — CID 18119687

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O2/c1-15-12-16(2)14-18(13-15)25-11-10-23(3)21(24)19-8-4-6-17-7-5-9-22-20(17)19/h4-9,12-14H,10-11H2,1-3H3
InChIKeyKSYRJVLVUSQPBA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide (PubChem CID 18119687) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
PubChem CID18119687
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O2/c1-15-12-16(2)14-18(13-15)25-11-10-23(3)21(24)19-8-4-6-17-7-5-9-22-20(17)19/h4-9,12-14H,10-11H2,1-3H3
InChIKeyKSYRJVLVUSQPBA-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 31667067
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide (CID 18119687) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide?
The InChIKey is KSYRJVLVUSQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-12-16(2)14-18(13-15)25-11-10-23(3)21(24)19-8-4-6-17-7-5-9-22-20(17)19/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 18119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).