2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C26H36N4O3 — CID 30577498

IUPAC2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1
InChIInChI=1S/C26H36N4O3/c1-28-13-15-30(16-14-28)23(21-10-11-22-20(17-21)7-6-12-29(22)2)18-27-26(31)19-33-25-9-5-4-8-24(25)32-3/h4-5,8-11,17,23H,6-7,12-16,18-19H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyYNGKEAUOUKPLSS-QHCPKHFHSA-N
MW452.60 g/mol
LogP2.56
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 30577498) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID30577498
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1
InChIInChI=1S/C26H36N4O3/c1-28-13-15-30(16-14-28)23(21-10-11-22-20(17-21)7-6-12-29(22)2)18-27-26(31)19-33-25-9-5-4-8-24(25)32-3/h4-5,8-11,17,23H,6-7,12-16,18-19H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyYNGKEAUOUKPLSS-QHCPKHFHSA-N
XLogP2.56
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 16801993
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
2-(4-methoxyphenoxy)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40949003
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40948997
N'-(2-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40955890
5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30577313
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 30578000
N-ethyl-N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30577985
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 51641015
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 30577631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 30577498) is 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is YNGKEAUOUKPLSS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-28-13-15-30(16-14-28)23(21-10-11-22-20(17-21)7-6-12-29(22)2)18-27-26(31)19-33-25-9-5-4-8-24(25)32-3/h4-5,8-11,17,23H,6-7,12-16,18-19H2,1-3H3,(H,27,31)/t23-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 30577498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).