3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide

C17H23FN2O2 — CID 71929870

IUPAC3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C17H23FN2O2/c1-3-4-12(2)19-16(21)9-10-20-15-7-6-14(18)11-13(15)5-8-17(20)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)
InChIKeyDTRIRKDLAXCRDC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.80
Rot. Bonds6

About 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide

3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 71929870) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID71929870
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C17H23FN2O2/c1-3-4-12(2)19-16(21)9-10-20-15-7-6-14(18)11-13(15)5-8-17(20)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)
InChIKeyDTRIRKDLAXCRDC-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide (CID 71929870) is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is DTRIRKDLAXCRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-4-12(2)19-16(21)9-10-20-15-7-6-14(18)11-13(15)5-8-17(20)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide?
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 306.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 71929870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).