N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide

C23H23ClN2O — CID 156757393

IUPACN-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
SMILESCC(=O)NC1(c2ccc(Cl)cc2)CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H23ClN2O/c1-16(27)26-23(18-6-8-19(24)9-7-18)13-10-17(11-14-23)20-12-15-25-22-5-3-2-4-21(20)22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyWAMAXOCSTCUQQT-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.58
Rot. Bonds3

About N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide

N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide (PubChem CID 156757393) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
PubChem CID156757393
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC NameN-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide
SMILESCC(=O)NC1(c2ccc(Cl)cc2)CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H23ClN2O/c1-16(27)26-23(18-6-8-19(24)9-7-18)13-10-17(11-14-23)20-12-15-25-22-5-3-2-4-21(20)22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyWAMAXOCSTCUQQT-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide (CID 156757393) is N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide is CC(=O)NC1(c2ccc(Cl)cc2)CCC(c2ccnc3ccccc23)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide?
The InChIKey is WAMAXOCSTCUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-16(27)26-23(18-6-8-19(24)9-7-18)13-10-17(11-14-23)20-12-15-25-22-5-3-2-4-21(20)22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide?
N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide has a molecular weight of 378.90 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-4-quinolin-4-ylcyclohexyl]acetamide is sourced from PubChem (CID 156757393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).