2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide

C24H23FN4O3 — CID 10025916

IUPAC2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C24H23FN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30)
InChIKeySIODANLDVQBCCG-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide

2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 10025916) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID10025916
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C24H23FN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30)
InChIKeySIODANLDVQBCCG-UHFFFAOYSA-N
XLogP3.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide (CID 10025916) is 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide is O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is SIODANLDVQBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30).
What are the key properties of 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 434.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 10025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).