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

C20H25FN2O2 — CID 59408269

IUPAC7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2ccc(F)cc21
InChIInChI=1S/C20H25FN2O2/c21-16-4-3-13-2-1-5-23(17(13)8-16)19(24)22-18-14-6-12-7-15(18)11-20(25,9-12)10-14/h3-4,8,12,14-15,18,25H,1-2,5-7,9-11H2,(H,22,24)
InChIKeyHKNODTNXYWHNLD-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.23
Rot. Bonds1

About 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide

7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 59408269) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID59408269
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2ccc(F)cc21
InChIInChI=1S/C20H25FN2O2/c21-16-4-3-13-2-1-5-23(17(13)8-16)19(24)22-18-14-6-12-7-15(18)11-20(25,9-12)10-14/h3-4,8,12,14-15,18,25H,1-2,5-7,9-11H2,(H,22,24)
InChIKeyHKNODTNXYWHNLD-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 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 59408269) is 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)N1CCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is HKNODTNXYWHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-16-4-3-13-2-1-5-23(17(13)8-16)19(24)22-18-14-6-12-7-15(18)11-20(25,9-12)10-14/h3-4,8,12,14-15,18,25H,1-2,5-7,9-11H2,(H,22,24).
What are the key properties of 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
7-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 7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 59408269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).