4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide

C22H24N2O2 — CID 160788538

IUPAC4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(CC(=O)c1cccc4cccnc14)C(C3)C2
InChIInChI=1S/C22H24N2O2/c23-21(26)22-10-13-7-15(11-22)18(16(8-13)12-22)9-19(25)17-5-1-3-14-4-2-6-24-20(14)17/h1-6,13,15-16,18H,7-12H2,(H2,23,26)
InChIKeySBNPVHPIMBKWSN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.74
Rot. Bonds4

About 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide

4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide (PubChem CID 160788538) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide
PubChem CID160788538
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(CC(=O)c1cccc4cccnc14)C(C3)C2
InChIInChI=1S/C22H24N2O2/c23-21(26)22-10-13-7-15(11-22)18(16(8-13)12-22)9-19(25)17-5-1-3-14-4-2-6-24-20(14)17/h1-6,13,15-16,18H,7-12H2,(H2,23,26)
InChIKeySBNPVHPIMBKWSN-UHFFFAOYSA-N
XLogP3.74
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
CID 146920788
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
1-(1-adamantyl)-2-quinolin-8-ylsulfanylethanone;hydrochloride
CID 18462542
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide
CID 71089639
N-(5-carbamoyl-2-adamantyl)-8-phenylmethoxyquinoline-2-carboxamide
CID 71491776
4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 58202113
N-(2-aminocyclopropyl)quinoline-8-carboxamide
CID 62875389
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide?
The IUPAC name of 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide (CID 160788538) is 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(CC(=O)c1cccc4cccnc14)C(C3)C2.
What is the InChIKey of 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide?
The InChIKey is SBNPVHPIMBKWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-21(26)22-10-13-7-15(11-22)18(16(8-13)12-22)9-19(25)17-5-1-3-14-4-2-6-24-20(14)17/h1-6,13,15-16,18H,7-12H2,(H2,23,26).
What are the key properties of 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide?
4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 160788538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).