1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone

C23H24FN3O2 — CID 15285676

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-19-21(14-18)29-25-23(19)17-9-12-26(13-10-17)15-22(28)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyBWWFIIWHYBWUSK-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.13
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 15285676) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID15285676
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCCc2ccccc21
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-19-21(14-18)29-25-23(19)17-9-12-26(13-10-17)15-22(28)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyBWWFIIWHYBWUSK-UHFFFAOYSA-N
XLogP4.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (CID 15285676) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is BWWFIIWHYBWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-7-8-19-21(14-18)29-25-23(19)17-9-12-26(13-10-17)15-22(28)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 393.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 15285676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).