3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol

C15H19BrN2O — CID 132590355

IUPAC3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nc2ccc(Br)cc2c(C)c1N
InChIInChI=1S/C15H19BrN2O/c1-4-15(19,5-2)14-13(17)9(3)11-8-10(16)6-7-12(11)18-14/h6-8,19H,4-5,17H2,1-3H3
InChIKeyQDCNKQVZYDFDOU-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol

3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol (PubChem CID 132590355) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol
PubChem CID132590355
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nc2ccc(Br)cc2c(C)c1N
InChIInChI=1S/C15H19BrN2O/c1-4-15(19,5-2)14-13(17)9(3)11-8-10(16)6-7-12(11)18-14/h6-8,19H,4-5,17H2,1-3H3
InChIKeyQDCNKQVZYDFDOU-UHFFFAOYSA-N
XLogP3.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol?
The IUPAC name of 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol (CID 132590355) is 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol?
The canonical SMILES for 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol is CCC(O)(CC)c1nc2ccc(Br)cc2c(C)c1N.
What is the InChIKey of 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol?
The InChIKey is QDCNKQVZYDFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-15(19,5-2)14-13(17)9(3)11-8-10(16)6-7-12(11)18-14/h6-8,19H,4-5,17H2,1-3H3.
What are the key properties of 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol?
3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol has a molecular weight of 323.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol is sourced from PubChem (CID 132590355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).