N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide

C26H30N2O2 — CID 2920275

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H30N2O2/c1-17(2)18-10-12-20(13-11-18)23(28-26(30)21-7-4-3-5-8-21)22-15-14-19-9-6-16-27-24(19)25(22)29/h6,9-17,21,23,29H,3-5,7-8H2,1-2H3,(H,28,30)
InChIKeySJOPIOKNSQOWOH-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.85
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide

N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide (PubChem CID 2920275) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide
PubChem CID2920275
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H30N2O2/c1-17(2)18-10-12-20(13-11-18)23(28-26(30)21-7-4-3-5-8-21)22-15-14-19-9-6-16-27-24(19)25(22)29/h6,9-17,21,23,29H,3-5,7-8H2,1-2H3,(H,28,30)
InChIKeySJOPIOKNSQOWOH-UHFFFAOYSA-N
XLogP5.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide (CID 2920275) is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide is CC(C)c1ccc(C(NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is SJOPIOKNSQOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-17(2)18-10-12-20(13-11-18)23(28-26(30)21-7-4-3-5-8-21)22-15-14-19-9-6-16-27-24(19)25(22)29/h6,9-17,21,23,29H,3-5,7-8H2,1-2H3,(H,28,30).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide?
N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 2920275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).