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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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).