cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide

C28H26N2O — CID 177490344

IUPACcis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1
InChIInChI=1S/C28H26N2O/c31-28(30-25-18-7-14-22-15-9-19-29-27(22)25)26-23(20-10-3-1-4-11-20)16-8-17-24(26)21-12-5-2-6-13-21/h1-7,9-15,18-19,23-24,26H,8,16-17H2,(H,30,31)/t23-,24+,26?
InChIKeyUAWJGLRORKBISA-MAOIWGCQSA-N
MW406.53 g/mol
LogP6.54
Rot. Bonds4

About cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide

cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide (PubChem CID 177490344) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
PubChem CID177490344
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Namecis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1
InChIInChI=1S/C28H26N2O/c31-28(30-25-18-7-14-22-15-9-19-29-27(22)25)26-23(20-10-3-1-4-11-20)16-8-17-24(26)21-12-5-2-6-13-21/h1-7,9-15,18-19,23-24,26H,8,16-17H2,(H,30,31)/t23-,24+,26?
InChIKeyUAWJGLRORKBISA-MAOIWGCQSA-N
XLogP6.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 102230878
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 21014127
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124766624
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
tert-butyl (3R,4R)-4-phenyl-3-(quinolin-8-ylcarbamoyl)piperidine-1-carboxylate
CID 170566687

Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The IUPAC name of cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide (CID 177490344) is cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide is O=C(Nc1cccc2cccnc12)C1[C@@H](c2ccccc2)CCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The InChIKey is UAWJGLRORKBISA-MAOIWGCQSA-N. The full InChI is InChI=1S/C28H26N2O/c31-28(30-25-18-7-14-22-15-9-19-29-27(22)25)26-23(20-10-3-1-4-11-20)16-8-17-24(26)21-12-5-2-6-13-21/h1-7,9-15,18-19,23-24,26H,8,16-17H2,(H,30,31)/t23-,24+,26?.
What are the key properties of cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 177490344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).