1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide

C15H17FN4O — CID 83163699

IUPAC1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C15H17FN4O/c16-11-8-12(17)10-2-1-5-19-13(10)14(11)20-6-3-9(4-7-20)15(18)21/h1-2,5,8-9H,3-4,6-7,17H2,(H2,18,21)
InChIKeyVYCHRLABTNZALU-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.66
Rot. Bonds2

About 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide

1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide (PubChem CID 83163699) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
PubChem CID83163699
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(F)cc(N)c3cccnc23)CC1
InChIInChI=1S/C15H17FN4O/c16-11-8-12(17)10-2-1-5-19-13(10)14(11)20-6-3-9(4-7-20)15(18)21/h1-2,5,8-9H,3-4,6-7,17H2,(H2,18,21)
InChIKeyVYCHRLABTNZALU-UHFFFAOYSA-N
XLogP1.66
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.66
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)piperidine-4-carboxamide 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

1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
CID 83164796
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
CID 83173958
8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
CID 83165348
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613
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-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
CID 83164118
8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
CID 83166349
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
CID 83166188
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)piperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide (CID 83163699) is 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(F)cc(N)c3cccnc23)CC1.
What is the InChIKey of 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide?
The InChIKey is VYCHRLABTNZALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-11-8-12(17)10-2-1-5-19-13(10)14(11)20-6-3-9(4-7-20)15(18)21/h1-2,5,8-9H,3-4,6-7,17H2,(H2,18,21).
What are the key properties of 1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide?
1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.66, 2 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)piperidine-4-carboxamide is sourced from PubChem (CID 83163699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).