4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide

C26H20Cl2N4O3 — CID 167408949

IUPAC4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2cc(Cl)ccc2n1)C1CCC(c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1
InChIInChI=1S/C26H20Cl2N4O3/c27-18-6-8-20-16(11-18)5-10-23(29-20)30-24(33)14-1-3-15(4-2-14)25-31-32-26(35-25)22-13-17-12-19(28)7-9-21(17)34-22/h5-15H,1-4H2,(H,29,30,33)
InChIKeySOQLRBFMQNYDNS-UHFFFAOYSA-N
MW507.38 g/mol
LogP7.25
Rot. Bonds4

About 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide

4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide (PubChem CID 167408949) has the molecular formula C26H20Cl2N4O3 and a molecular weight of 507.38 g/mol. Its IUPAC name is 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
PubChem CID167408949
Molecular FormulaC26H20Cl2N4O3
Molecular Weight507.38 g/mol
Exact Mass506.09
IUPAC Name4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2cc(Cl)ccc2n1)C1CCC(c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1
InChIInChI=1S/C26H20Cl2N4O3/c27-18-6-8-20-16(11-18)5-10-23(29-20)30-24(33)14-1-3-15(4-2-14)25-31-32-26(35-25)22-13-17-12-19(28)7-9-21(17)34-22/h5-15H,1-4H2,(H,29,30,33)
InChIKeySOQLRBFMQNYDNS-UHFFFAOYSA-N
XLogP7.25
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 175471284
1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
CID 166158823
N-[(5-chloro-1-benzofuran-2-yl)methyl]-4-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide
CID 167409015
N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166158850
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 104524995
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
CID 166158842
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
4-[4-[(4-chloro-3-fluorophenoxy)methyl]pyrazol-1-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide
CID 167409037
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide (CID 167408949) is 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc2cc(Cl)ccc2n1)C1CCC(c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1.
What is the InChIKey of 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is SOQLRBFMQNYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O3/c27-18-6-8-20-16(11-18)5-10-23(29-20)30-24(33)14-1-3-15(4-2-14)25-31-32-26(35-25)22-13-17-12-19(28)7-9-21(17)34-22/h5-15H,1-4H2,(H,29,30,33).
What are the key properties of 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide?
4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 507.38 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-(6-chloroquinolin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 167408949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).