2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride

C27H37ClN4O — CID 10195445

IUPAC2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride
SMILESCc1ccc2nc(N3CCC(N)CC3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C27H36N4O.ClH/c1-17-2-4-23-22(3-5-24(29-23)31-8-6-21(28)7-9-31)26(17)30-25(32)16-27-13-18-10-19(14-27)12-20(11-18)15-27;/h2-5,18-21H,6-16,28H2,1H3,(H,30,32);1H
InChIKeyWARMUWNPUDQMTF-UHFFFAOYSA-N
MW469.07 g/mol
LogP5.44
Rot. Bonds4

About 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride

2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride (PubChem CID 10195445) has the molecular formula C27H37ClN4O and a molecular weight of 469.07 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride
PubChem CID10195445
Molecular FormulaC27H37ClN4O
Molecular Weight469.07 g/mol
Exact Mass468.27
IUPAC Name2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride
SMILESCc1ccc2nc(N3CCC(N)CC3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C27H36N4O.ClH/c1-17-2-4-23-22(3-5-24(29-23)31-8-6-21(28)7-9-31)26(17)30-25(32)16-27-13-18-10-19(14-27)12-20(11-18)15-27;/h2-5,18-21H,6-16,28H2,1H3,(H,30,32);1H
InChIKeyWARMUWNPUDQMTF-UHFFFAOYSA-N
XLogP5.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.07
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[2-[(3S)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]-6-methylquinolin-5-yl]acetamide;dihydrochloride
CID 69073345
ethyl 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloroquinolin-2-yl]piperidine-4-carboxylate
CID 86621833
2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methylquinolin-5-yl]acetamide
CID 10126846
2-(1-adamantyl)-N-[6-chloro-2-[[2-(methylamino)ethylamino]methyl]quinolin-5-yl]acetamide
CID 10238326
2-(1-adamantyl)-N-[6-chloro-2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide;dihydrochloride
CID 69071923
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 11222925
2-(1-adamantyl)-N-[6-chloro-2-[methyl-[3-(methylamino)propyl]amino]quinolin-5-yl]acetamide
CID 10152213
2-[5-[[2-(1-adamantyl)acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate
CID 66648904
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
2-(1-adamantyl)-N-[6-chloro-2-[(3R)-3-hydroxy-4-(methylamino)butyl]quinolin-5-yl]acetamide
CID 10311195
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 11540527

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride?
The IUPAC name of 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride (CID 10195445) is 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride is Cc1ccc2nc(N3CCC(N)CC3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride?
The InChIKey is WARMUWNPUDQMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O.ClH/c1-17-2-4-23-22(3-5-24(29-23)31-8-6-21(28)7-9-31)26(17)30-25(32)16-27-13-18-10-19(14-27)12-20(11-18)15-27;/h2-5,18-21H,6-16,28H2,1H3,(H,30,32);1H.
What are the key properties of 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride?
2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride has a molecular weight of 469.07 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(4-aminopiperidin-1-yl)-6-methylquinolin-5-yl]acetamide;hydrochloride is sourced from PubChem (CID 10195445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).