6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol

C15H19N3O3 — CID 103918121

IUPAC6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
SMILESO=[N+]([O-])c1c(NCCCCCCO)ccc2ncccc12
InChIInChI=1S/C15H19N3O3/c19-11-4-2-1-3-9-17-14-8-7-13-12(6-5-10-16-13)15(14)18(20)21/h5-8,10,17,19H,1-4,9,11H2
InChIKeyCNNWPNWELTXFRN-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.11
Rot. Bonds8

About 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol

6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol (PubChem CID 103918121) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
PubChem CID103918121
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
SMILESO=[N+]([O-])c1c(NCCCCCCO)ccc2ncccc12
InChIInChI=1S/C15H19N3O3/c19-11-4-2-1-3-9-17-14-8-7-13-12(6-5-10-16-13)15(14)18(20)21/h5-8,10,17,19H,1-4,9,11H2
InChIKeyCNNWPNWELTXFRN-UHFFFAOYSA-N
XLogP3.11
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308

Frequently Asked Questions

What is the IUPAC name of 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol (CID 103918121) is 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol is O=[N+]([O-])c1c(NCCCCCCO)ccc2ncccc12.
What is the InChIKey of 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol?
The InChIKey is CNNWPNWELTXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-11-4-2-1-3-9-17-14-8-7-13-12(6-5-10-16-13)15(14)18(20)21/h5-8,10,17,19H,1-4,9,11H2.
What are the key properties of 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol?
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol has a molecular weight of 289.33 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol is sourced from PubChem (CID 103918121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).