1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol

C16H20FN3O — CID 107403613

IUPAC1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C16H20FN3O/c1-16(21)5-3-8-20(9-6-16)15-12(17)10-13(18)11-4-2-7-19-14(11)15/h2,4,7,10,21H,3,5-6,8-9,18H2,1H3
InChIKeyREFOJDGEYCCSLC-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.70
Rot. Bonds1

About 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol

1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol (PubChem CID 107403613) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
PubChem CID107403613
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C16H20FN3O/c1-16(21)5-3-8-20(9-6-16)15-12(17)10-13(18)11-4-2-7-19-14(11)15/h2,4,7,10,21H,3,5-6,8-9,18H2,1H3
InChIKeyREFOJDGEYCCSLC-UHFFFAOYSA-N
XLogP2.70
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.70
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

8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
CID 83165348
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
CID 83173958
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
CID 83163699
1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
CID 107403747
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
CID 83164796
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
CID 83164118
7-fluoro-8-(3-methoxy-4-methylpiperidin-1-yl)quinolin-5-amine
CID 102955565
8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine
CID 83166153
7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
CID 83165173

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol (CID 107403613) is 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2c(F)cc(N)c3cccnc23)CC1.
What is the InChIKey of 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol?
The InChIKey is REFOJDGEYCCSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-16(21)5-3-8-20(9-6-16)15-12(17)10-13(18)11-4-2-7-19-14(11)15/h2,4,7,10,21H,3,5-6,8-9,18H2,1H3.
What are the key properties of 1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol?
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol has a molecular weight of 289.35 g/mol, XLogP of 2.70, 1 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)-4-methylazepan-4-ol is sourced from PubChem (CID 107403613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).