5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol

C23H26N2O — CID 137266657

IUPAC5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol
SMILESCc1cc(C)c(/N=C/c2ccc3c(C(C)(C)C)ccc(O)c3n2)c(C)c1
InChIInChI=1S/C23H26N2O/c1-14-11-15(2)21(16(3)12-14)24-13-17-7-8-18-19(23(4,5)6)9-10-20(26)22(18)25-17/h7-13,26H,1-6H3/b24-13+
InChIKeyWEQQDPDRWPCBPF-ZMOGYAJESA-N
MW346.47 g/mol
LogP5.91
Rot. Bonds2

About 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol

5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol (PubChem CID 137266657) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol
PubChem CID137266657
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol
SMILESCc1cc(C)c(/N=C/c2ccc3c(C(C)(C)C)ccc(O)c3n2)c(C)c1
InChIInChI=1S/C23H26N2O/c1-14-11-15(2)21(16(3)12-14)24-13-17-7-8-18-19(23(4,5)6)9-10-20(26)22(18)25-17/h7-13,26H,1-6H3/b24-13+
InChIKeyWEQQDPDRWPCBPF-ZMOGYAJESA-N
XLogP5.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol (CID 137266657) is 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol is Cc1cc(C)c(/N=C/c2ccc3c(C(C)(C)C)ccc(O)c3n2)c(C)c1.
What is the InChIKey of 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol?
The InChIKey is WEQQDPDRWPCBPF-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H26N2O/c1-14-11-15(2)21(16(3)12-14)24-13-17-7-8-18-19(23(4,5)6)9-10-20(26)22(18)25-17/h7-13,26H,1-6H3/b24-13+.
What are the key properties of 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol?
5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol has a molecular weight of 346.47 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2,4,6-trimethylphenyl)iminomethyl]quinolin-8-ol is sourced from PubChem (CID 137266657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).