2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol

C15H18FN3O — CID 102859479

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
SMILESNc1cc(F)c(N(CCO)C2CCC2)c2ncccc12
InChIInChI=1S/C15H18FN3O/c16-12-9-13(17)11-5-2-6-18-14(11)15(12)19(7-8-20)10-3-1-4-10/h2,5-6,9-10,20H,1,3-4,7-8,17H2
InChIKeyYEMBRTFHOPRBGJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.31
Rot. Bonds4

About 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol

2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol (PubChem CID 102859479) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
PubChem CID102859479
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol
SMILESNc1cc(F)c(N(CCO)C2CCC2)c2ncccc12
InChIInChI=1S/C15H18FN3O/c16-12-9-13(17)11-5-2-6-18-14(11)15(12)19(7-8-20)10-3-1-4-10/h2,5-6,9-10,20H,1,3-4,7-8,17H2
InChIKeyYEMBRTFHOPRBGJ-UHFFFAOYSA-N
XLogP2.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-amino-3-((5-nitroquinolin-8-yl)amino)propan-2-ol
CID 6540273
Quinoline-5,6-diamine
CID 426874
2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethanol
CID 2729735
5-(Phenyldiazenyl)-8-quinolinamine
CID 298620
4-(2-Hydroxyethyl)aminoquinoline
CID 10702777
2-[(5-Nitroquinolin-8-yl)amino]ethanol
CID 2728868
1-[(5-Nitroquinolin-8-yl)amino]propan-2-ol
CID 2729720
2-[(5-Nitroquinolin-8-yl)amino]butan-1-ol
CID 2867353
4-(8-Quinolylamino)butan-1-ol
CID 118731133
3-(4-Fluorophenyl)quinoxalin-6-amine
CID 132510854
N6-Methylquinoline-5,6-diamine
CID 155419
N-(5-morpholin-4-ylquinolin-8-yl)methanesulfonamide
CID 153156039

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol (CID 102859479) is 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol is Nc1cc(F)c(N(CCO)C2CCC2)c2ncccc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol?
The InChIKey is YEMBRTFHOPRBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-9-13(17)11-5-2-6-18-14(11)15(12)19(7-8-20)10-3-1-4-10/h2,5-6,9-10,20H,1,3-4,7-8,17H2.
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol?
2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol has a molecular weight of 275.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102859479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).