7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide

C16H19FN2O3 — CID 111484288

IUPAC7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H19FN2O3/c1-9(2)16(3,22)8-18-15(21)12-7-14(20)19-13-6-10(17)4-5-11(12)13/h4-7,9,22H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGULUWTZSZAJGJM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.80
Rot. Bonds4

About 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 111484288) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID111484288
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H19FN2O3/c1-9(2)16(3,22)8-18-15(21)12-7-14(20)19-13-6-10(17)4-5-11(12)13/h4-7,9,22H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGULUWTZSZAJGJM-UHFFFAOYSA-N
XLogP1.80
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
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
6-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 111484162
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-[1-(aminomethyl)cyclopentyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119566050
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
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
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide (CID 111484288) is 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide is CC(C)C(C)(O)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GULUWTZSZAJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-9(2)16(3,22)8-18-15(21)12-7-14(20)19-13-6-10(17)4-5-11(12)13/h4-7,9,22H,8H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide?
7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 111484288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).