[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol

C17H24N2O2 — CID 20979536

IUPAC[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
SMILESCCCCCCNc1cc(OC)cc2c(CO)ccnc12
InChIInChI=1S/C17H24N2O2/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16/h7,9-11,18,20H,3-6,8,12H2,1-2H3
InChIKeyQZDUWQAJMUXXHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.73
Rot. Bonds8

About [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol

[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol (PubChem CID 20979536) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol.

Molecular Properties

Compound Name[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
PubChem CID20979536
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
SMILESCCCCCCNc1cc(OC)cc2c(CO)ccnc12
InChIInChI=1S/C17H24N2O2/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16/h7,9-11,18,20H,3-6,8,12H2,1-2H3
InChIKeyQZDUWQAJMUXXHD-UHFFFAOYSA-N
XLogP3.73
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979535
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
CID 12618404
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
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
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
CID 70431033
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The IUPAC name of [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol (CID 20979536) is [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol.
What is the SMILES notation for [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The canonical SMILES for [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol is CCCCCCNc1cc(OC)cc2c(CO)ccnc12.
What is the InChIKey of [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The InChIKey is QZDUWQAJMUXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16/h7,9-11,18,20H,3-6,8,12H2,1-2H3.
What are the key properties of [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hexylamino)-6-methoxyquinolin-4-yl]methanol is sourced from PubChem (CID 20979536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).