3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol

C15H20FN3O — CID 106183325

IUPAC3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3O/c1-14(2,15(3,4)20)19-13-10(16)8-11(17)9-6-5-7-18-12(9)13/h5-8,19-20H,17H2,1-4H3
InChIKeyKWDPBNGHNWBGJH-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.92
Rot. Bonds3

About 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol

3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106183325) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106183325
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3O/c1-14(2,15(3,4)20)19-13-10(16)8-11(17)9-6-5-7-18-12(9)13/h5-8,19-20H,17H2,1-4H3
InChIKeyKWDPBNGHNWBGJH-UHFFFAOYSA-N
XLogP2.92
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol (CID 106183325) is 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is KWDPBNGHNWBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-14(2,15(3,4)20)19-13-10(16)8-11(17)9-6-5-7-18-12(9)13/h5-8,19-20H,17H2,1-4H3.
What are the key properties of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 277.34 g/mol, XLogP of 2.92, 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]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).