4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane

C16H24N2O — CID 123547885

IUPAC4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane
SMILESCC.CC(C)(O)CCc1c(N)cnc2ccccc12
InChIInChI=1S/C14H18N2O.C2H6/c1-14(2,17)8-7-10-11-5-3-4-6-13(11)16-9-12(10)15;1-2/h3-6,9,17H,7-8,15H2,1-2H3;1-2H3
InChIKeyBTWZJUPLOWLPBD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds3

About 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane

4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane (PubChem CID 123547885) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane.

Molecular Properties

Compound Name4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane
PubChem CID123547885
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane
SMILESCC.CC(C)(O)CCc1c(N)cnc2ccccc12
InChIInChI=1S/C14H18N2O.C2H6/c1-14(2,17)8-7-10-11-5-3-4-6-13(11)16-9-12(10)15;1-2/h3-6,9,17H,7-8,15H2,1-2H3;1-2H3
InChIKeyBTWZJUPLOWLPBD-UHFFFAOYSA-N
XLogP3.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane?
The IUPAC name of 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane (CID 123547885) is 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane.
What is the SMILES notation for 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane?
The canonical SMILES for 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane is CC.CC(C)(O)CCc1c(N)cnc2ccccc12.
What is the InChIKey of 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane?
The InChIKey is BTWZJUPLOWLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-14(2,17)8-7-10-11-5-3-4-6-13(11)16-9-12(10)15;1-2/h3-6,9,17H,7-8,15H2,1-2H3;1-2H3.
What are the key properties of 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane?
4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane has a molecular weight of 260.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane is sourced from PubChem (CID 123547885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).