1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile

C17H19FN4O — CID 68610480

IUPAC1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(N)C(F)C3)c2c1
InChIInChI=1S/C17H19FN4O/c18-14-11-21(6-5-15(14)20)7-8-22-16-9-12(10-19)1-2-13(16)3-4-17(22)23/h1-4,9,14-15H,5-8,11,20H2
InChIKeyIDIPTVKSRUXREZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile

1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile (PubChem CID 68610480) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
PubChem CID68610480
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(=O)n(CCN3CCC(N)C(F)C3)c2c1
InChIInChI=1S/C17H19FN4O/c18-14-11-21(6-5-15(14)20)7-8-22-16-9-12(10-19)1-2-13(16)3-4-17(22)23/h1-4,9,14-15H,5-8,11,20H2
InChIKeyIDIPTVKSRUXREZ-UHFFFAOYSA-N
XLogP1.24
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
CID 141211537
1-[1,2-bis(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile
CID 69096509
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl] carbamate
CID 175061198
[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66843618
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130336630
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
2-oxo-1-(3-oxopropyl)quinoline-7-carbonitrile
CID 130303541
1-[2-[(3aS,7aR)-2-oxo-1-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl]ethyl]-2-oxoquinoline-7-carbonitrile
CID 137470105
1-[2-[(3R,4S)-3-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile;dihydrochloride
CID 25008764
N-[1-[2-(7-cyano-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160350
1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
CID 77232675
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The IUPAC name of 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile (CID 68610480) is 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile.
What is the SMILES notation for 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The canonical SMILES for 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile is N#Cc1ccc2ccc(=O)n(CCN3CCC(N)C(F)C3)c2c1.
What is the InChIKey of 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
The InChIKey is IDIPTVKSRUXREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-11-21(6-5-15(14)20)7-8-22-16-9-12(10-19)1-2-13(16)3-4-17(22)23/h1-4,9,14-15H,5-8,11,20H2.
What are the key properties of 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile?
1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile has a molecular weight of 314.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-3-fluoropiperidin-1-yl)ethyl]-2-oxoquinoline-7-carbonitrile is sourced from PubChem (CID 68610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).