1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol

C15H18FN3O — CID 115964840

IUPAC1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C15H18FN3O/c1-9(20)10-4-6-19(8-10)15-12(16)7-13(17)11-3-2-5-18-14(11)15/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3
InChIKeyDPRUXKDQVXZOKA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.16
Rot. Bonds2

About 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol

1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol (PubChem CID 115964840) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
PubChem CID115964840
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C15H18FN3O/c1-9(20)10-4-6-19(8-10)15-12(16)7-13(17)11-3-2-5-18-14(11)15/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3
InChIKeyDPRUXKDQVXZOKA-UHFFFAOYSA-N
XLogP2.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.16
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

7-fluoro-8-(3-methoxy-4-methylpiperidin-1-yl)quinolin-5-amine
CID 102955565
1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
CID 83163699
7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
CID 83164118
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
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613
8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
CID 83166349
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
CID 83163721
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
CID 83164796
7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
CID 83165173

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol (CID 115964840) is 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2c(F)cc(N)c3cccnc23)C1.
What is the InChIKey of 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is DPRUXKDQVXZOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(20)10-4-6-19(8-10)15-12(16)7-13(17)11-3-2-5-18-14(11)15/h2-3,5,7,9-10,20H,4,6,8,17H2,1H3.
What are the key properties of 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 275.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115964840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).