N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide

C19H24N2O — CID 98701498

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C19H24N2O/c1-13-6-3-10-17(14(13)2)21-18(22)12-16-8-4-7-15-9-5-11-20-19(15)16/h4-5,7-9,11,13-14,17H,3,6,10,12H2,1-2H3,(H,21,22)/t13-,14+,17+/m1/s1
InChIKeyRQZIUTDNRCURFR-KEYYUXOJSA-N
MW296.41 g/mol
LogP3.72
Rot. Bonds3

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide (PubChem CID 98701498) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
PubChem CID98701498
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C19H24N2O/c1-13-6-3-10-17(14(13)2)21-18(22)12-16-8-4-7-15-9-5-11-20-19(15)16/h4-5,7-9,11,13-14,17H,3,6,10,12H2,1-2H3,(H,21,22)/t13-,14+,17+/m1/s1
InChIKeyRQZIUTDNRCURFR-KEYYUXOJSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
CID 23737405
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
CID 166373675
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 92667491
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
2-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 11881762
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3986821
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide (CID 98701498) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide?
The InChIKey is RQZIUTDNRCURFR-KEYYUXOJSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-6-3-10-17(14(13)2)21-18(22)12-16-8-4-7-15-9-5-11-20-19(15)16/h4-5,7-9,11,13-14,17H,3,6,10,12H2,1-2H3,(H,21,22)/t13-,14+,17+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide has a molecular weight of 296.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 98701498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).