7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide

C21H22N2O3 — CID 27822380

IUPAC7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O3/c1-15-19(13-16-9-10-18(25-3)14-20(16)22-15)21(24)23(2)11-12-26-17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyXWXLCYRVGONYBR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.70
Rot. Bonds6

About 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide

7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide (PubChem CID 27822380) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
PubChem CID27822380
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O3/c1-15-19(13-16-9-10-18(25-3)14-20(16)22-15)21(24)23(2)11-12-26-17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyXWXLCYRVGONYBR-UHFFFAOYSA-N
XLogP3.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide (CID 27822380) is 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)N(C)CCOc3ccccc3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The InChIKey is XWXLCYRVGONYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-19(13-16-9-10-18(25-3)14-20(16)22-15)21(24)23(2)11-12-26-17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide?
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide is sourced from PubChem (CID 27822380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).