1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide

C15H17FN4O — CID 83165493

IUPAC1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H17FN4O/c1-18-15(21)12-5-3-7-20(12)14-10(16)8-11(17)9-4-2-6-19-13(9)14/h2,4,6,8,12H,3,5,7,17H2,1H3,(H,18,21)
InChIKeyLPPSTDGCSNYAOK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.67
Rot. Bonds2

About 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide

1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 83165493) 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)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID83165493
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H17FN4O/c1-18-15(21)12-5-3-7-20(12)14-10(16)8-11(17)9-4-2-6-19-13(9)14/h2,4,6,8,12H,3,5,7,17H2,1H3,(H,18,21)
InChIKeyLPPSTDGCSNYAOK-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 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 ≤ 51.67
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

CID 2963713
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CID 836584
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CID 3061465
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CID 25241666
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CID 44182258
CID 44182258
CID 53338799
CID 53338799
CID 25241665
CID 25241665
CID 21710166
CID 21710166
CID 10094241
CID 10094241
CID 25241680
CID 25241680
CID 44143235
CID 44143235
CID 44182260
CID 44182260

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide (CID 83165493) is 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LPPSTDGCSNYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-18-15(21)12-5-3-7-20(12)14-10(16)8-11(17)9-4-2-6-19-13(9)14/h2,4,6,8,12H,3,5,7,17H2,1H3,(H,18,21).
What are the key properties of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide?
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.67, 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)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83165493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).