N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide

C22H24N2O2 — CID 18126231

IUPACN,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc3cc(C)ccc3nc2C)cc1
InChIInChI=1S/C22H24N2O2/c1-15-5-8-19(9-6-15)26-12-11-24(4)22(25)20-14-18-13-16(2)7-10-21(18)23-17(20)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyDINJZLYCTXCAKK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds5

About N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide

N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide (PubChem CID 18126231) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
PubChem CID18126231
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc3cc(C)ccc3nc2C)cc1
InChIInChI=1S/C22H24N2O2/c1-15-5-8-19(9-6-15)26-12-11-24(4)22(25)20-14-18-13-16(2)7-10-21(18)23-17(20)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyDINJZLYCTXCAKK-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

7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-5-carboxamide
CID 134049963
N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46684152
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide (CID 18126231) is N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide is Cc1ccc(OCCN(C)C(=O)c2cc3cc(C)ccc3nc2C)cc1.
What is the InChIKey of N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide?
The InChIKey is DINJZLYCTXCAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-5-8-19(9-6-15)26-12-11-24(4)22(25)20-14-18-13-16(2)7-10-21(18)23-17(20)3/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide?
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-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-(4-methylphenoxy)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 18126231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).