5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C20H25FN2O2 — CID 25134134

IUPAC5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2c(F)cccc21
InChIInChI=1S/C20H25FN2O2/c21-16-4-1-5-17-15(16)3-2-6-23(17)19(24)22-18-13-7-12-8-14(18)11-20(25,9-12)10-13/h1,4-5,12-14,18,25H,2-3,6-11H2,(H,22,24)
InChIKeyQIAAHKOPDCOKMB-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.23
Rot. Bonds1

About 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide

5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 25134134) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID25134134
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2c(F)cccc21
InChIInChI=1S/C20H25FN2O2/c21-16-4-1-5-17-15(16)3-2-6-23(17)19(24)22-18-13-7-12-8-14(18)11-20(25,9-12)10-13/h1,4-5,12-14,18,25H,2-3,6-11H2,(H,22,24)
InChIKeyQIAAHKOPDCOKMB-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 25134134) is 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is QIAAHKOPDCOKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-16-4-1-5-17-15(16)3-2-6-23(17)19(24)22-18-13-7-12-8-14(18)11-20(25,9-12)10-13/h1,4-5,12-14,18,25H,2-3,6-11H2,(H,22,24).
What are the key properties of 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 25134134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).