2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol

C12H14FN3O — CID 83165824

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
SMILESCC(CO)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C12H14FN3O/c1-7(6-17)16-12-9(13)5-10(14)8-3-2-4-15-11(8)12/h2-5,7,16-17H,6,14H2,1H3
InChIKeyJIKYGAKXYFURLI-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.75
Rot. Bonds3

About 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol

2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol (PubChem CID 83165824) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
PubChem CID83165824
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
SMILESCC(CO)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C12H14FN3O/c1-7(6-17)16-12-9(13)5-10(14)8-3-2-4-15-11(8)12/h2-5,7,16-17H,6,14H2,1H3
InChIKeyJIKYGAKXYFURLI-UHFFFAOYSA-N
XLogP1.75
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.75
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

7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 83164952
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
CID 83165509
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol (CID 83165824) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol is CC(CO)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol?
The InChIKey is JIKYGAKXYFURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7(6-17)16-12-9(13)5-10(14)8-3-2-4-15-11(8)12/h2-5,7,16-17H,6,14H2,1H3.
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol is sourced from PubChem (CID 83165824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).