1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone

C22H24FN5O — CID 650975

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H24FN5O/c23-17-7-8-21-19(14-17)24-25-28(21)18-9-12-26(13-10-18)15-22(29)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,18H,3,5,9-13,15H2
InChIKeyHOQFVIAOGSBDFY-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.19
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 650975) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone
PubChem CID650975
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H24FN5O/c23-17-7-8-21-19(14-17)24-25-28(21)18-9-12-26(13-10-18)15-22(29)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,18H,3,5,9-13,15H2
InChIKeyHOQFVIAOGSBDFY-UHFFFAOYSA-N
XLogP3.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone (CID 650975) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is HOQFVIAOGSBDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-17-7-8-21-19(14-17)24-25-28(21)18-9-12-26(13-10-18)15-22(29)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,18H,3,5,9-13,15H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 393.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 650975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).