1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol

C17H14FN3O3 — CID 133351529

IUPAC1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
SMILESO=[N+]([O-])c1ccc(NCC(O)c2ccccc2F)c2ncccc12
InChIInChI=1S/C17H14FN3O3/c18-13-6-2-1-4-11(13)16(22)10-20-14-7-8-15(21(23)24)12-5-3-9-19-17(12)14/h1-9,16,20,22H,10H2
InChIKeyRNIVUFUTIKYZSS-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol

1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol (PubChem CID 133351529) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
PubChem CID133351529
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
SMILESO=[N+]([O-])c1ccc(NCC(O)c2ccccc2F)c2ncccc12
InChIInChI=1S/C17H14FN3O3/c18-13-6-2-1-4-11(13)16(22)10-20-14-7-8-15(21(23)24)12-5-3-9-19-17(12)14/h1-9,16,20,22H,10H2
InChIKeyRNIVUFUTIKYZSS-UHFFFAOYSA-N
XLogP3.43
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.43
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'}

Analyze 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol 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

1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
1-(4-fluorophenoxy)-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
CID 133272703
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
1-(2-fluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133436618
4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-nitrobenzenesulfonamide
CID 55681041
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
CID 133443534
4-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methyl-3-nitrobenzamide
CID 94805755
2-(2-chloro-5-methyl-4-nitroanilino)-1-(2-fluorophenyl)ethanol
CID 133351530

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol (CID 133351529) is 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol is O=[N+]([O-])c1ccc(NCC(O)c2ccccc2F)c2ncccc12.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol?
The InChIKey is RNIVUFUTIKYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-6-2-1-4-11(13)16(22)10-20-14-7-8-15(21(23)24)12-5-3-9-19-17(12)14/h1-9,16,20,22H,10H2.
What are the key properties of 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol has a molecular weight of 327.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol is sourced from PubChem (CID 133351529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).