N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide

C20H25N3O2 — CID 166373675

IUPACN-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
SMILESCC(=O)N(C)C1CCCC(NC(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H25N3O2/c1-14(24)23(2)18-10-4-9-17(13-18)22-19(25)12-16-7-3-6-15-8-5-11-21-20(15)16/h3,5-8,11,17-18H,4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyYGICZNPWBAMHJJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds4

About N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide

N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide (PubChem CID 166373675) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
PubChem CID166373675
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
SMILESCC(=O)N(C)C1CCCC(NC(=O)Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H25N3O2/c1-14(24)23(2)18-10-4-9-17(13-18)22-19(25)12-16-7-3-6-15-8-5-11-21-20(15)16/h3,5-8,11,17-18H,4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyYGICZNPWBAMHJJ-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-quinolin-8-ylacetamide
CID 24653440
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide (CID 166373675) is N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide is CC(=O)N(C)C1CCCC(NC(=O)Cc2cccc3cccnc23)C1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide?
The InChIKey is YGICZNPWBAMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(24)23(2)18-10-4-9-17(13-18)22-19(25)12-16-7-3-6-15-8-5-11-21-20(15)16/h3,5-8,11,17-18H,4,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide?
N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide has a molecular weight of 339.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 166373675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).