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

C23H26N2O2 — CID 3136125

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H26N2O2/c1-4-6-20(26)25-21(18-10-8-16(9-11-18)15(2)3)19-13-12-17-7-5-14-24-22(17)23(19)27/h5,7-15,21,27H,4,6H2,1-3H3,(H,25,26)
InChIKeyUWDWJZPBQFCTAQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.07
Rot. Bonds6

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

N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide (PubChem CID 3136125) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide
PubChem CID3136125
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H26N2O2/c1-4-6-20(26)25-21(18-10-8-16(9-11-18)15(2)3)19-13-12-17-7-5-14-24-22(17)23(19)27/h5,7-15,21,27H,4,6H2,1-3H3,(H,25,26)
InChIKeyUWDWJZPBQFCTAQ-UHFFFAOYSA-N
XLogP5.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.07
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]butanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide (CID 3136125) is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide is CCCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide?
The InChIKey is UWDWJZPBQFCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-6-20(26)25-21(18-10-8-16(9-11-18)15(2)3)19-13-12-17-7-5-14-24-22(17)23(19)27/h5,7-15,21,27H,4,6H2,1-3H3,(H,25,26).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide has a molecular weight of 362.47 g/mol, XLogP of 5.07, 6 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]butanamide is sourced from PubChem (CID 3136125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).