N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide

C16H19FN2O2 — CID 118334211

IUPACN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C16H19FN2O2/c1-9(2)10(3)15(20)18-8-12-6-11-4-5-13(17)7-14(11)19-16(12)21/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNLZRIAXQOCCVPT-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.58
Rot. Bonds4

About N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide

N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide (PubChem CID 118334211) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide
PubChem CID118334211
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C16H19FN2O2/c1-9(2)10(3)15(20)18-8-12-6-11-4-5-13(17)7-14(11)19-16(12)21/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNLZRIAXQOCCVPT-UHFFFAOYSA-N
XLogP2.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide (CID 118334211) is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide?
The InChIKey is NLZRIAXQOCCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-9(2)10(3)15(20)18-8-12-6-11-4-5-13(17)7-14(11)19-16(12)21/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide?
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide has a molecular weight of 290.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 118334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).