N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C19H26FN3O2 — CID 10736428

IUPACN-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C19H26FN3O2/c1-4-23(5-2)10-6-7-13(3)22-19(25)16-12-21-17-9-8-14(20)11-15(17)18(16)24/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKXPGSNXIZZLIRH-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.91
Rot. Bonds8

About N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10736428) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10736428
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C19H26FN3O2/c1-4-23(5-2)10-6-7-13(3)22-19(25)16-12-21-17-9-8-14(20)11-15(17)18(16)24/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKXPGSNXIZZLIRH-UHFFFAOYSA-N
XLogP2.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
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Cyclopeptine
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2-N-Nonyl-4-Quinolone
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2-Heptyl-3-methyl-1H-quinolin-4-one
CID 599666
N-(2-Acetylphenyl)acetamide
CID 21306
6-Fluoro-2-methylquinolin-4-ol
CID 85184

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 10736428) is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is CCN(CC)CCCC(C)NC(=O)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KXPGSNXIZZLIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-23(5-2)10-6-7-13(3)22-19(25)16-12-21-17-9-8-14(20)11-15(17)18(16)24/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10736428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).