N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide

C23H23ClN2O2 — CID 121328273

IUPACN-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide
SMILESO=C(CC1CCC(Oc2ccnc3ccccc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O2/c24-17-7-9-18(10-8-17)26-23(27)15-16-5-11-19(12-6-16)28-22-13-14-25-21-4-2-1-3-20(21)22/h1-4,7-10,13-14,16,19H,5-6,11-12,15H2,(H,26,27)
InChIKeyCEFZUMMXCKZZDF-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.85
Rot. Bonds5

About N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide

N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide (PubChem CID 121328273) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide
PubChem CID121328273
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide
SMILESO=C(CC1CCC(Oc2ccnc3ccccc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O2/c24-17-7-9-18(10-8-17)26-23(27)15-16-5-11-19(12-6-16)28-22-13-14-25-21-4-2-1-3-20(21)22/h1-4,7-10,13-14,16,19H,5-6,11-12,15H2,(H,26,27)
InChIKeyCEFZUMMXCKZZDF-UHFFFAOYSA-N
XLogP5.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
CID 121318124
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
N-(4-Amino-quinolin-6-yl)-2-(4-chloro-phenoxymethyl)-benzamide
CID 10668903
n-(4-Chlorophenyl)-6-(4-quinolinyloxy)-1-naphthalenecarboxamide
CID 24822267
n-(4-Chlorophenyl)-6-(4-pyridinyloxy)-1-naphthalenecarboxamide
CID 24824043
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(4-quinolin-4-yloxyphenyl)urea
CID 25231072

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide (CID 121328273) is N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide is O=C(CC1CCC(Oc2ccnc3ccccc23)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide?
The InChIKey is CEFZUMMXCKZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c24-17-7-9-18(10-8-17)26-23(27)15-16-5-11-19(12-6-16)28-22-13-14-25-21-4-2-1-3-20(21)22/h1-4,7-10,13-14,16,19H,5-6,11-12,15H2,(H,26,27).
What are the key properties of N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide?
N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide has a molecular weight of 394.90 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide is sourced from PubChem (CID 121328273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).