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

C21H21ClN2O3 — CID 34472594

IUPACN-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3cccc(Cl)c3)c(C)nc2c1
InChIInChI=1S/C21H21ClN2O3/c1-14-19(11-15-7-8-17(26-3)13-20(15)23-14)21(25)24(2)9-10-27-18-6-4-5-16(22)12-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeyBPUFMVJDRRXNCT-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.36
Rot. Bonds6

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

N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide (PubChem CID 34472594) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
PubChem CID34472594
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CCOc3cccc(Cl)c3)c(C)nc2c1
InChIInChI=1S/C21H21ClN2O3/c1-14-19(11-15-7-8-17(26-3)13-20(15)23-14)21(25)24(2)9-10-27-18-6-4-5-16(22)12-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeyBPUFMVJDRRXNCT-UHFFFAOYSA-N
XLogP4.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.36
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
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
6-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 41377679
[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 16576188
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide (CID 34472594) is N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide is COc1ccc2cc(C(=O)N(C)CCOc3cccc(Cl)c3)c(C)nc2c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is BPUFMVJDRRXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-14-19(11-15-7-8-17(26-3)13-20(15)23-14)21(25)24(2)9-10-27-18-6-4-5-16(22)12-18/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 34472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).