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

C14H16FN3O — CID 83164807

IUPAC3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
SMILESNc1cc(F)c(NCC2CC(O)C2)c2ncccc12
InChIInChI=1S/C14H16FN3O/c15-11-6-12(16)10-2-1-3-17-13(10)14(11)18-7-8-4-9(19)5-8/h1-3,6,8-9,18-19H,4-5,7,16H2
InChIKeyLIRREDCHCPCIEG-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.14
Rot. Bonds3

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

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 83164807) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
PubChem CID83164807
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
SMILESNc1cc(F)c(NCC2CC(O)C2)c2ncccc12
InChIInChI=1S/C14H16FN3O/c15-11-6-12(16)10-2-1-3-17-13(10)14(11)18-7-8-4-9(19)5-8/h1-3,6,8-9,18-19H,4-5,7,16H2
InChIKeyLIRREDCHCPCIEG-UHFFFAOYSA-N
XLogP2.14
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclopentan-1-ol
CID 106119511
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675
2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
CID 83166348
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
CID 83166347
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099576

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol (CID 83164807) is 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol is Nc1cc(F)c(NCC2CC(O)C2)c2ncccc12.
What is the InChIKey of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is LIRREDCHCPCIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-6-12(16)10-2-1-3-17-13(10)14(11)18-7-8-4-9(19)5-8/h1-3,6,8-9,18-19H,4-5,7,16H2.
What are the key properties of 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol?
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 83164807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).