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

C23H26N2O2 — CID 70723101

IUPACN,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)c2cc(C)nc3ccc(C)cc23)c1
InChIInChI=1S/C23H26N2O2/c1-16-7-5-8-19(13-16)27-12-6-11-25(4)23(26)21-15-18(3)24-22-10-9-17(2)14-20(21)22/h5,7-10,13-15H,6,11-12H2,1-4H3
InChIKeyNDESNBVJDKJUQS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.70
Rot. Bonds6

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

N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide (PubChem CID 70723101) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
PubChem CID70723101
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)c2cc(C)nc3ccc(C)cc23)c1
InChIInChI=1S/C23H26N2O2/c1-16-7-5-8-19(13-16)27-12-6-11-25(4)23(26)21-15-18(3)24-22-10-9-17(2)14-20(21)22/h5,7-10,13-15H,6,11-12H2,1-4H3
InChIKeyNDESNBVJDKJUQS-UHFFFAOYSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
CID 18120133
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-(2-methoxyethyl)-N,2,7-trimethylquinoline-4-carboxamide
CID 46984652
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide
CID 72868931
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
4-[(6-bromo-2-methylquinoline-4-carbonyl)-methylamino]butanoic acid
CID 119346825
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide (CID 70723101) is N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide is Cc1cccc(OCCCN(C)C(=O)c2cc(C)nc3ccc(C)cc23)c1.
What is the InChIKey of N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide?
The InChIKey is NDESNBVJDKJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-7-5-8-19(13-16)27-12-6-11-25(4)23(26)21-15-18(3)24-22-10-9-17(2)14-20(21)22/h5,7-10,13-15H,6,11-12H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide?
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.70, 6 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-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 70723101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).