2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate

C23H34N4O4 — CID 175196193

IUPAC2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate
SMILESCOc1cc2nccc(N3CCN(CCOC(=O)NC(C)(C)C)[C@H](C)C3)c2cc1OC
InChIInChI=1S/C23H34N4O4/c1-16-15-27(10-9-26(16)11-12-31-22(28)25-23(2,3)4)19-7-8-24-18-14-21(30-6)20(29-5)13-17(18)19/h7-8,13-14,16H,9-12,15H2,1-6H3,(H,25,28)/t16-/m1/s1
InChIKeyCCXCBHXNKUWQLL-MRXNPFEDSA-N
MW430.55 g/mol
LogP3.29
Rot. Bonds6

About 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate

2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate (PubChem CID 175196193) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate
PubChem CID175196193
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate
SMILESCOc1cc2nccc(N3CCN(CCOC(=O)NC(C)(C)C)[C@H](C)C3)c2cc1OC
InChIInChI=1S/C23H34N4O4/c1-16-15-27(10-9-26(16)11-12-31-22(28)25-23(2,3)4)19-7-8-24-18-14-21(30-6)20(29-5)13-17(18)19/h7-8,13-14,16H,9-12,15H2,1-6H3,(H,25,28)/t16-/m1/s1
InChIKeyCCXCBHXNKUWQLL-MRXNPFEDSA-N
XLogP3.29
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate with MolForge

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
[3-[4-(3-cyano-6,7-dimethoxyquinolin-4-yl)-1,4-diazepan-1-yl]-3-hydroxypropyl] N-tert-butylcarbamate
CID 166071279
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
CID 70313258
N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
CID 155618197

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate (CID 175196193) is 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate is COc1cc2nccc(N3CCN(CCOC(=O)NC(C)(C)C)[C@H](C)C3)c2cc1OC.
What is the InChIKey of 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate?
The InChIKey is CCXCBHXNKUWQLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-16-15-27(10-9-26(16)11-12-31-22(28)25-23(2,3)4)19-7-8-24-18-14-21(30-6)20(29-5)13-17(18)19/h7-8,13-14,16H,9-12,15H2,1-6H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate?
2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate has a molecular weight of 430.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 175196193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).