N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide

C24H33N3O — CID 68580552

IUPACN-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)CC1CCCCC1)CN2C1CCCCC1
InChIInChI=1S/C24H33N3O/c25-16-19-11-12-23-20(13-19)15-21(17-27(23)22-9-5-2-6-10-22)26-24(28)14-18-7-3-1-4-8-18/h11-13,18,21-22H,1-10,14-15,17H2,(H,26,28)
InChIKeyHCZZRGFOQJKFGO-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.71
Rot. Bonds4

About N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide

N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide (PubChem CID 68580552) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
PubChem CID68580552
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
SMILESN#Cc1ccc2c(c1)CC(NC(=O)CC1CCCCC1)CN2C1CCCCC1
InChIInChI=1S/C24H33N3O/c25-16-19-11-12-23-20(13-19)15-21(17-27(23)22-9-5-2-6-10-22)26-24(28)14-18-7-3-1-4-8-18/h11-13,18,21-22H,1-10,14-15,17H2,(H,26,28)
InChIKeyHCZZRGFOQJKFGO-UHFFFAOYSA-N
XLogP4.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide (CID 68580552) is N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide is N#Cc1ccc2c(c1)CC(NC(=O)CC1CCCCC1)CN2C1CCCCC1.
What is the InChIKey of N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide?
The InChIKey is HCZZRGFOQJKFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c25-16-19-11-12-23-20(13-19)15-21(17-27(23)22-9-5-2-6-10-22)26-24(28)14-18-7-3-1-4-8-18/h11-13,18,21-22H,1-10,14-15,17H2,(H,26,28).
What are the key properties of N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide?
N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide has a molecular weight of 379.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1-cyclohexyl-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 68580552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).