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

C20H26N2O2 — CID 59658107

IUPACN-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCCc2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19(22-7-3-5-14-4-1-2-6-17(14)22)21-18-15-8-13-9-16(18)12-20(24,10-13)11-15/h1-2,4,6,13,15-16,18,24H,3,5,7-12H2,(H,21,23)/t13?,15-,16+,18?,20?
InChIKeyHNEHWDDCSZJESF-LYLPNMKGSA-N
MW326.44 g/mol
LogP3.09
Rot. Bonds1

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

N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 59658107) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID59658107
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCCc2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19(22-7-3-5-14-4-1-2-6-17(14)22)21-18-15-8-13-9-16(18)12-20(24,10-13)11-15/h1-2,4,6,13,15-16,18,24H,3,5,7-12H2,(H,21,23)/t13?,15-,16+,18?,20?
InChIKeyHNEHWDDCSZJESF-LYLPNMKGSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59408262
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134134
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
CID 142675489
N-(3-ethyl-2-bicyclo[3.2.1]octanyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 142912156
2-[4-[4-[4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydroquinoxalin-1-yl]phenyl]piperazin-1-yl]sulfonylacetic acid
CID 58102040
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(5-hydroxy-2-adamantyl)-4-[4-[4-(2-hydroxyethylsulfonyl)piperazin-1-yl]phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 58102042
4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
CID 46896675
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110866329
(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 52939378
N-[(1S,3R)-5-hydroxy-2-adamantyl]-4-[4-(2-methylsulfonyl-2,7-diazaspiro[4.4]nonan-7-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 66863322

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 59658107) is N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCCc2ccccc21.
What is the InChIKey of N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is HNEHWDDCSZJESF-LYLPNMKGSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(22-7-3-5-14-4-1-2-6-17(14)22)21-18-15-8-13-9-16(18)12-20(24,10-13)11-15/h1-2,4,6,13,15-16,18,24H,3,5,7-12H2,(H,21,23)/t13?,15-,16+,18?,20?.
What are the key properties of N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 59658107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).