N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C20H25FN2O — CID 59658171

IUPACN-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(F)(C3)C2)N1CCCc2ccccc21
InChIInChI=1S/C20H25FN2O/c21-20-10-13-8-15(11-20)18(16(9-13)12-20)22-19(24)23-7-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15-16,18H,3,5,7-12H2,(H,22,24)/t13?,15-,16+,18?,20?
InChIKeyFEWYEGPCHHKGPU-LYLPNMKGSA-N
MW328.43 g/mol
LogP4.07
Rot. Bonds1

About N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 59658171) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID59658171
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(F)(C3)C2)N1CCCc2ccccc21
InChIInChI=1S/C20H25FN2O/c21-20-10-13-8-15(11-20)18(16(9-13)12-20)22-19(24)23-7-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15-16,18H,3,5,7-12H2,(H,22,24)/t13?,15-,16+,18?,20?
InChIKeyFEWYEGPCHHKGPU-LYLPNMKGSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 59658171) is N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NC1[C@@H]2CC3C[C@H]1CC(F)(C3)C2)N1CCCc2ccccc21.
What is the InChIKey of N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is FEWYEGPCHHKGPU-LYLPNMKGSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-20-10-13-8-15(11-20)18(16(9-13)12-20)22-19(24)23-7-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15-16,18H,3,5,7-12H2,(H,22,24)/t13?,15-,16+,18?,20?.
What are the key properties of N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 59658171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).