(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate

C26H23NO4 — CID 17261073

IUPAC(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C26H23NO4/c1-16-12-17(2)25-22(13-16)23(26(28)31-20-10-8-19(29-3)9-11-20)15-24(27-25)18-6-5-7-21(14-18)30-4/h5-15H,1-4H3
InChIKeyMHKFSKWTNLPOSQ-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.76
Rot. Bonds5

About (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate

(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 17261073) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID17261073
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C26H23NO4/c1-16-12-17(2)25-22(13-16)23(26(28)31-20-10-8-19(29-3)9-11-20)15-24(27-25)18-6-5-7-21(14-18)30-4/h5-15H,1-4H3
InChIKeyMHKFSKWTNLPOSQ-UHFFFAOYSA-N
XLogP5.76
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate (CID 17261073) is (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate is COc1ccc(OC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is MHKFSKWTNLPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-12-17(2)25-22(13-16)23(26(28)31-20-10-8-19(29-3)9-11-20)15-24(27-25)18-6-5-7-21(14-18)30-4/h5-15H,1-4H3.
What are the key properties of (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 17261073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).