3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol

C14H14FN3O3 — CID 83164841

IUPAC3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1cc(F)c(NCC2CC(O)C2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-3-16-13(10)14(11)17-7-8-4-9(19)5-8/h1-3,6,8-9,17,19H,4-5,7H2
InChIKeySWLIWZISWRTEAD-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.46
Rot. Bonds4

About 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol

3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 83164841) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
PubChem CID83164841
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1cc(F)c(NCC2CC(O)C2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-3-16-13(10)14(11)17-7-8-4-9(19)5-8/h1-3,6,8-9,17,19H,4-5,7H2
InChIKeySWLIWZISWRTEAD-UHFFFAOYSA-N
XLogP2.46
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.46
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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Related Compounds

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164807
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclopentan-1-ol
CID 106119511
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
CID 83164838
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol (CID 83164841) is 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol is O=[N+]([O-])c1cc(F)c(NCC2CC(O)C2)c2ncccc12.
What is the InChIKey of 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is SWLIWZISWRTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-3-16-13(10)14(11)17-7-8-4-9(19)5-8/h1-3,6,8-9,17,19H,4-5,7H2.
What are the key properties of 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 291.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 83164841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).