1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol

C16H22N2O2 — CID 64812344

IUPAC1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
SMILESCc1ccc2cccc(OC(C)CC(C)(O)CN)c2n1
InChIInChI=1S/C16H22N2O2/c1-11-7-8-13-5-4-6-14(15(13)18-11)20-12(2)9-16(3,19)10-17/h4-8,12,19H,9-10,17H2,1-3H3
InChIKeyGVJQOOPQPYKPHQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.41
Rot. Bonds5

About 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol

1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol (PubChem CID 64812344) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
PubChem CID64812344
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
SMILESCc1ccc2cccc(OC(C)CC(C)(O)CN)c2n1
InChIInChI=1S/C16H22N2O2/c1-11-7-8-13-5-4-6-14(15(13)18-11)20-12(2)9-16(3,19)10-17/h4-8,12,19H,9-10,17H2,1-3H3
InChIKeyGVJQOOPQPYKPHQ-UHFFFAOYSA-N
XLogP2.41
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol (CID 64812344) is 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol is Cc1ccc2cccc(OC(C)CC(C)(O)CN)c2n1.
What is the InChIKey of 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol?
The InChIKey is GVJQOOPQPYKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-7-8-13-5-4-6-14(15(13)18-11)20-12(2)9-16(3,19)10-17/h4-8,12,19H,9-10,17H2,1-3H3.
What are the key properties of 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol?
1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol is sourced from PubChem (CID 64812344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).