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

C23H24FN3O2 — CID 23353694

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-19-21(14-18)29-25-23(19)17-9-12-26(13-10-17)22(28)15-27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyLEHSHJGMEZYSJZ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.13
Rot. Bonds3

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

2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 23353694) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID23353694
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-19-21(14-18)29-25-23(19)17-9-12-26(13-10-17)22(28)15-27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2
InChIKeyLEHSHJGMEZYSJZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone (CID 23353694) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is O=C(CN1CCCc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is LEHSHJGMEZYSJZ-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)22(28)15-27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,17H,3,5,9-13,15H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-[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 2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23353694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).