N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine

C23H36N4O3S — CID 70431320

IUPACN-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine
SMILESCCC(CCC(Nc1cc(OC)cc2c(C)ccnc12)N1CCNCC1)S(=O)(=O)CC
InChIInChI=1S/C23H36N4O3S/c1-5-19(31(28,29)6-2)7-8-22(27-13-11-24-12-14-27)26-21-16-18(30-4)15-20-17(3)9-10-25-23(20)21/h9-10,15-16,19,22,24,26H,5-8,11-14H2,1-4H3
InChIKeyHWSQKAYZPGOSHW-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.19
Rot. Bonds10

About N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine

N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine (PubChem CID 70431320) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine
PubChem CID70431320
Molecular FormulaC23H36N4O3S
Molecular Weight448.63 g/mol
Exact Mass448.25
IUPAC NameN-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine
SMILESCCC(CCC(Nc1cc(OC)cc2c(C)ccnc12)N1CCNCC1)S(=O)(=O)CC
InChIInChI=1S/C23H36N4O3S/c1-5-19(31(28,29)6-2)7-8-22(27-13-11-24-12-14-27)26-21-16-18(30-4)15-20-17(3)9-10-25-23(20)21/h9-10,15-16,19,22,24,26H,5-8,11-14H2,1-4H3
InChIKeyHWSQKAYZPGOSHW-UHFFFAOYSA-N
XLogP3.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine with MolForge

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Related Compounds

1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
CID 86741428
2-ethyl-1-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 13077553
6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
CID 13077547
N-(6-methoxy-4-methylquinolin-8-yl)-5-oxohexanamide
CID 540519
N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 590409
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
CID 70431033
N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 608614
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
CID 18414092
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3477056
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine?
The IUPAC name of N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine (CID 70431320) is N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine.
What is the SMILES notation for N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine?
The canonical SMILES for N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine is CCC(CCC(Nc1cc(OC)cc2c(C)ccnc12)N1CCNCC1)S(=O)(=O)CC.
What is the InChIKey of N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine?
The InChIKey is HWSQKAYZPGOSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3S/c1-5-19(31(28,29)6-2)7-8-22(27-13-11-24-12-14-27)26-21-16-18(30-4)15-20-17(3)9-10-25-23(20)21/h9-10,15-16,19,22,24,26H,5-8,11-14H2,1-4H3.
What are the key properties of N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine?
N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine has a molecular weight of 448.63 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonyl-1-piperazin-1-ylhexyl)-6-methoxy-4-methylquinolin-8-amine is sourced from PubChem (CID 70431320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).