N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide

C16H20FN3O2 — CID 119641077

IUPACN-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H20FN3O2/c1-3-16(18,4-2)9-19-15(22)12-8-14(21)20-13-7-10(17)5-6-11(12)13/h5-8H,3-4,9,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYIGUXMZNUHALLS-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.91
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide

N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119641077) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119641077
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H20FN3O2/c1-3-16(18,4-2)9-19-15(22)12-8-14(21)20-13-7-10(17)5-6-11(12)13/h5-8H,3-4,9,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYIGUXMZNUHALLS-UHFFFAOYSA-N
XLogP1.91
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 111484288
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
N-[1-(aminomethyl)cyclopentyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119566050
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-(2-amino-2-ethylbutyl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119642420
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119188586
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide (CID 119641077) is N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide is CCC(N)(CC)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is YIGUXMZNUHALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-3-16(18,4-2)9-19-15(22)12-8-14(21)20-13-7-10(17)5-6-11(12)13/h5-8H,3-4,9,18H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119641077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).