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

C13H16FN3O — CID 83163721

IUPAC1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H16FN3O/c1-8(18)7-17(2)13-10(14)6-11(15)9-4-3-5-16-12(9)13/h3-6,8,18H,7,15H2,1-2H3
InChIKeyOPCZWLPEDVPYDU-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.77
Rot. Bonds3

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

1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol (PubChem CID 83163721) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
PubChem CID83163721
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H16FN3O/c1-8(18)7-17(2)13-10(14)6-11(15)9-4-3-5-16-12(9)13/h3-6,8,18H,7,15H2,1-2H3
InChIKeyOPCZWLPEDVPYDU-UHFFFAOYSA-N
XLogP1.77
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

3-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-2-methylpropanenitrile
CID 83166150
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
CID 83165325
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
CID 83173957
8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
CID 83165498
7-fluoro-8-N-(3-fluorophenyl)-8-N-methylquinoline-5,8-diamine
CID 83164643
8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83164113
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol (CID 83163721) is 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol?
The InChIKey is OPCZWLPEDVPYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(18)7-17(2)13-10(14)6-11(15)9-4-3-5-16-12(9)13/h3-6,8,18H,7,15H2,1-2H3.
What are the key properties of 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol?
1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol has a molecular weight of 249.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 83163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).