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

C14H15FN2O2 — CID 118336697

IUPACN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-8(2)13(18)16-7-10-5-9-3-4-11(15)6-12(9)17-14(10)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBVHJXFHVOJWTNB-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.94
Rot. Bonds3

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

N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (PubChem CID 118336697) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
PubChem CID118336697
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-8(2)13(18)16-7-10-5-9-3-4-11(15)6-12(9)17-14(10)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBVHJXFHVOJWTNB-UHFFFAOYSA-N
XLogP1.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.94
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-methylpropanamide?
The IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (CID 118336697) is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is BVHJXFHVOJWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8(2)13(18)16-7-10-5-9-3-4-11(15)6-12(9)17-14(10)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 262.28 g/mol, XLogP of 1.94, 3 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-methylpropanamide is sourced from PubChem (CID 118336697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).