[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate

C22H32N4O3 — CID 70431033

IUPAC[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
SMILESCOc1cc(NCCCCCCN2CCN(OC=O)CC2)c2nccc(C)c2c1
InChIInChI=1S/C22H32N4O3/c1-18-7-9-24-22-20(18)15-19(28-2)16-21(22)23-8-5-3-4-6-10-25-11-13-26(14-12-25)29-17-27/h7,9,15-17,23H,3-6,8,10-14H2,1-2H3
InChIKeyPFGPDFSJTMJZQP-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.23
Rot. Bonds11

About [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate

[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate (PubChem CID 70431033) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate.

Molecular Properties

Compound Name[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
PubChem CID70431033
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
SMILESCOc1cc(NCCCCCCN2CCN(OC=O)CC2)c2nccc(C)c2c1
InChIInChI=1S/C22H32N4O3/c1-18-7-9-24-22-20(18)15-19(28-2)16-21(22)23-8-5-3-4-6-10-25-11-13-26(14-12-25)29-17-27/h7,9,15-17,23H,3-6,8,10-14H2,1-2H3
InChIKeyPFGPDFSJTMJZQP-UHFFFAOYSA-N
XLogP3.23
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 608614
2-ethyl-1-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 13077553
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
CID 12618404
6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
CID 13077547
N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 590409
1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
CID 141175869
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
N-(6-methoxy-4-methylquinolin-8-yl)-5-oxohexanamide
CID 540519
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979536
N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979535
1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
CID 86741428

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate?
The IUPAC name of [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate (CID 70431033) is [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate.
What is the SMILES notation for [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate?
The canonical SMILES for [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate is COc1cc(NCCCCCCN2CCN(OC=O)CC2)c2nccc(C)c2c1.
What is the InChIKey of [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate?
The InChIKey is PFGPDFSJTMJZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-18-7-9-24-22-20(18)15-19(28-2)16-21(22)23-8-5-3-4-6-10-25-11-13-26(14-12-25)29-17-27/h7,9,15-17,23H,3-6,8,10-14H2,1-2H3.
What are the key properties of [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate?
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate has a molecular weight of 400.52 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate is sourced from PubChem (CID 70431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).