N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide

C27H33N5O3 — CID 22427017

IUPACN-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C27H33N5O3/c1-4-35-22-8-5-20(6-9-22)28-26(33)11-12-27(34)29-21-7-10-24-23(18-21)19(2)17-25(30-24)32-15-13-31(3)14-16-32/h5-10,17-18H,4,11-16H2,1-3H3,(H,28,33)(H,29,34)
InChIKeyANYRMWDZTNFQKI-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.05
Rot. Bonds8

About N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide

N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide (PubChem CID 22427017) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
PubChem CID22427017
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C27H33N5O3/c1-4-35-22-8-5-20(6-9-22)28-26(33)11-12-27(34)29-21-7-10-24-23(18-21)19(2)17-25(30-24)32-15-13-31(3)14-16-32/h5-10,17-18H,4,11-16H2,1-3H3,(H,28,33)(H,29,34)
InChIKeyANYRMWDZTNFQKI-UHFFFAOYSA-N
XLogP4.05
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036
6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
CID 90005472
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
CID 142905279
4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6265762
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427000
4-ethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 122174582
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
CID 22427010
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]butanediamide
CID 46503375

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide (CID 22427017) is N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide is CCOc1ccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide?
The InChIKey is ANYRMWDZTNFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-4-35-22-8-5-20(6-9-22)28-26(33)11-12-27(34)29-21-7-10-24-23(18-21)19(2)17-25(30-24)32-15-13-31(3)14-16-32/h5-10,17-18H,4,11-16H2,1-3H3,(H,28,33)(H,29,34).
What are the key properties of N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide?
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide has a molecular weight of 475.59 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide is sourced from PubChem (CID 22427017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).