4-(hexylamino)-2-methylquinolin-6-ol

C16H22N2O — CID 22417914

IUPAC4-(hexylamino)-2-methylquinolin-6-ol
SMILESCCCCCCNc1cc(C)nc2ccc(O)cc12
InChIInChI=1S/C16H22N2O/c1-3-4-5-6-9-17-16-10-12(2)18-15-8-7-13(19)11-14(15)16/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyFDMSUZUPVWQRQC-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.24
Rot. Bonds6

About 4-(hexylamino)-2-methylquinolin-6-ol

4-(hexylamino)-2-methylquinolin-6-ol (PubChem CID 22417914) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(hexylamino)-2-methylquinolin-6-ol.

Molecular Properties

Compound Name4-(hexylamino)-2-methylquinolin-6-ol
PubChem CID22417914
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(hexylamino)-2-methylquinolin-6-ol
SMILESCCCCCCNc1cc(C)nc2ccc(O)cc12
InChIInChI=1S/C16H22N2O/c1-3-4-5-6-9-17-16-10-12(2)18-15-8-7-13(19)11-14(15)16/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyFDMSUZUPVWQRQC-UHFFFAOYSA-N
XLogP4.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(6-butyl-2-methylquinolin-4-yl)butane-1,4-diamine
CID 58807116
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)-2-methylquinolin-6-ol?
The IUPAC name of 4-(hexylamino)-2-methylquinolin-6-ol (CID 22417914) is 4-(hexylamino)-2-methylquinolin-6-ol.
What is the SMILES notation for 4-(hexylamino)-2-methylquinolin-6-ol?
The canonical SMILES for 4-(hexylamino)-2-methylquinolin-6-ol is CCCCCCNc1cc(C)nc2ccc(O)cc12.
What is the InChIKey of 4-(hexylamino)-2-methylquinolin-6-ol?
The InChIKey is FDMSUZUPVWQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-5-6-9-17-16-10-12(2)18-15-8-7-13(19)11-14(15)16/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(hexylamino)-2-methylquinolin-6-ol?
4-(hexylamino)-2-methylquinolin-6-ol has a molecular weight of 258.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)-2-methylquinolin-6-ol is sourced from PubChem (CID 22417914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).