N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide

C21H21BrN2O3 — CID 24546263

IUPACN-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3ccc(Br)cc3)c(C)nc2c1
InChIInChI=1S/C21H21BrN2O3/c1-14-19(12-15-4-7-18(26-3)13-20(15)23-14)21(25)24(2)10-11-27-17-8-5-16(22)6-9-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyTUBQVAQIYPKFKH-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide

N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide (PubChem CID 24546263) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
PubChem CID24546263
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3ccc(Br)cc3)c(C)nc2c1
InChIInChI=1S/C21H21BrN2O3/c1-14-19(12-15-4-7-18(26-3)13-20(15)23-14)21(25)24(2)10-11-27-17-8-5-16(22)6-9-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyTUBQVAQIYPKFKH-UHFFFAOYSA-N
XLogP4.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide (CID 24546263) is N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide is COc1ccc2cc(C(=O)N(C)CCOc3ccc(Br)cc3)c(C)nc2c1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is TUBQVAQIYPKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-14-19(12-15-4-7-18(26-3)13-20(15)23-14)21(25)24(2)10-11-27-17-8-5-16(22)6-9-17/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 24546263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).