6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol

C16H22N2O2 — CID 21424689

IUPAC6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
SMILESCOc1ccc2c(NCCCCCCO)ccnc2c1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-7-14-15(8-10-18-16(14)12-13)17-9-4-2-3-5-11-19/h6-8,10,12,19H,2-5,9,11H2,1H3,(H,17,18)
InChIKeySSPXFAKRBJCPOY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.21
Rot. Bonds8

About 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol

6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol (PubChem CID 21424689) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
PubChem CID21424689
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
SMILESCOc1ccc2c(NCCCCCCO)ccnc2c1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-7-14-15(8-10-18-16(14)12-13)17-9-4-2-3-5-11-19/h6-8,10,12,19H,2-5,9,11H2,1H3,(H,17,18)
InChIKeySSPXFAKRBJCPOY-UHFFFAOYSA-N
XLogP3.21
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.21
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

5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145
bis(but-2-enedioic acid);2-[2-hydroxyethyl-[3-[(7-methoxyquinolin-4-yl)amino]propyl]amino]ethanol;bis(nitric acid)
CID 173457139
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
(E)-N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 71520943
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
bis((E)-but-2-enedioic acid);2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828144
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206

Frequently Asked Questions

What is the IUPAC name of 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol (CID 21424689) is 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol is COc1ccc2c(NCCCCCCO)ccnc2c1.
What is the InChIKey of 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol?
The InChIKey is SSPXFAKRBJCPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-13-6-7-14-15(8-10-18-16(14)12-13)17-9-4-2-3-5-11-19/h6-8,10,12,19H,2-5,9,11H2,1H3,(H,17,18).
What are the key properties of 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol?
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 21424689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).