(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate

C27H25NO3 — CID 19648301

IUPAC(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C27H25NO3/c1-16-9-17(2)12-22(11-16)31-27(29)24-15-25(20-7-6-8-21(14-20)30-5)28-26-19(4)10-18(3)13-23(24)26/h6-15H,1-5H3
InChIKeyOYXZWRKJIJNNCW-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.36
Rot. Bonds4

About (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate

(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 19648301) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID19648301
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C27H25NO3/c1-16-9-17(2)12-22(11-16)31-27(29)24-15-25(20-7-6-8-21(14-20)30-5)28-26-19(4)10-18(3)13-23(24)26/h6-15H,1-5H3
InChIKeyOYXZWRKJIJNNCW-UHFFFAOYSA-N
XLogP6.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(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
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
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-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
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate (CID 19648301) is (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate is COc1cccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)c3cc(C)cc(C)c3n2)c1.
What is the InChIKey of (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is OYXZWRKJIJNNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-16-9-17(2)12-22(11-16)31-27(29)24-15-25(20-7-6-8-21(14-20)30-5)28-26-19(4)10-18(3)13-23(24)26/h6-15H,1-5H3.
What are the key properties of (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate?
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 19648301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).