3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol

C14H14BrN3O3 — CID 118101709

IUPAC3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H14BrN3O3/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17)
InChIKeyJZOUESBJDZGUFP-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.23
Rot. Bonds3

About 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol

3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol (PubChem CID 118101709) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
PubChem CID118101709
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H14BrN3O3/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17)
InChIKeyJZOUESBJDZGUFP-UHFFFAOYSA-N
XLogP3.23
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol (CID 118101709) is 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol is O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1CCC(O)C1.
What is the InChIKey of 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is JZOUESBJDZGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-8-1-4-12-11(5-8)14(13(7-16-12)18(20)21)17-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6H2,(H,16,17).
What are the key properties of 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol?
3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 352.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-3-nitroquinolin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 118101709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).