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

C24H33N5O3 — CID 22427010

IUPACN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCC3CCCO3)cc12
InChIInChI=1S/C24H33N5O3/c1-17-14-22(29-11-9-28(2)10-12-29)27-21-6-5-18(15-20(17)21)26-24(31)8-7-23(30)25-16-19-4-3-13-32-19/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMSFSHGYAIKJVBD-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.31
Rot. Bonds7

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

N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide (PubChem CID 22427010) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
PubChem CID22427010
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCC3CCCO3)cc12
InChIInChI=1S/C24H33N5O3/c1-17-14-22(29-11-9-28(2)10-12-29)27-21-6-5-18(15-20(17)21)26-24(31)8-7-23(30)25-16-19-4-3-13-32-19/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMSFSHGYAIKJVBD-UHFFFAOYSA-N
XLogP2.31
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]butanediamide
CID 46503375
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427000
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469

Frequently Asked Questions

What is the IUPAC name of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide (CID 22427010) is N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCC3CCCO3)cc12.
What is the InChIKey of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide?
The InChIKey is MSFSHGYAIKJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-14-22(29-11-9-28(2)10-12-29)27-21-6-5-18(15-20(17)21)26-24(31)8-7-23(30)25-16-19-4-3-13-32-19/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide?
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide has a molecular weight of 439.56 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 22427010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).