N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide

C25H37N5O3 — CID 22427032

IUPACN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCCOC(C)C)cc12
InChIInChI=1S/C25H37N5O3/c1-18(2)33-15-5-10-26-24(31)8-9-25(32)27-20-6-7-22-21(17-20)19(3)16-23(28-22)30-13-11-29(4)12-14-30/h6-7,16-18H,5,8-15H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMYHUDGUKONIEHL-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.95
Rot. Bonds10

About N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide

N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide (PubChem CID 22427032) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide.

Molecular Properties

Compound NameN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide
PubChem CID22427032
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCCOC(C)C)cc12
InChIInChI=1S/C25H37N5O3/c1-18(2)33-15-5-10-26-24(31)8-9-25(32)27-20-6-7-22-21(17-20)19(3)16-23(28-22)30-13-11-29(4)12-14-30/h6-7,16-18H,5,8-15H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMYHUDGUKONIEHL-UHFFFAOYSA-N
XLogP2.95
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
1,5-Anhydro-2,3,4-Trideoxy-3-{[(4s)-3,3-Dimethyl-1-(8-Methylquinolin-2-Yl)piperidine-4-Carbonyl]amino}-D-Erythro-Hexitol
CID 121313704
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexanecarboxamide
CID 15999877
4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
CID 16002169
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclopropanecarboxamide
CID 16003777
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-propylcyclohexane-1-carboxamide
CID 16759188
N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 16759189
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121

Frequently Asked Questions

What is the IUPAC name of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide?
The IUPAC name of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide (CID 22427032) is N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide.
What is the SMILES notation for N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide?
The canonical SMILES for N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCCOC(C)C)cc12.
What is the InChIKey of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide?
The InChIKey is MYHUDGUKONIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-18(2)33-15-5-10-26-24(31)8-9-25(32)27-20-6-7-22-21(17-20)19(3)16-23(28-22)30-13-11-29(4)12-14-30/h6-7,16-18H,5,8-15H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide?
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-(3-propan-2-yloxypropyl)butanediamide has a molecular weight of 455.60 g/mol, XLogP of 2.95, 10 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-(3-propan-2-yloxypropyl)butanediamide is sourced from PubChem (CID 22427032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).