(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

C23H25NO4 — CID 7847126

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2cc(OC)c(OC)cc2C)c1C
InChIInChI=1S/C23H25NO4/c1-6-18-15(3)22(17-9-7-8-10-19(17)24-18)23(25)28-13-16-12-21(27-5)20(26-4)11-14(16)2/h7-12H,6,13H2,1-5H3
InChIKeyFKIWHMMVFXVFBD-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.79
Rot. Bonds6

About (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 7847126) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID7847126
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2cc(OC)c(OC)cc2C)c1C
InChIInChI=1S/C23H25NO4/c1-6-18-15(3)22(17-9-7-8-10-19(17)24-18)23(25)28-13-16-12-21(27-5)20(26-4)11-14(16)2/h7-12H,6,13H2,1-5H3
InChIKeyFKIWHMMVFXVFBD-UHFFFAOYSA-N
XLogP4.79
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (CID 7847126) is (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCc2cc(OC)c(OC)cc2C)c1C.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is FKIWHMMVFXVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-6-18-15(3)22(17-9-7-8-10-19(17)24-18)23(25)28-13-16-12-21(27-5)20(26-4)11-14(16)2/h7-12H,6,13H2,1-5H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 7847126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).