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

C22H23NO3 — CID 7501206

IUPAC(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1cc(C)ccc1OC
InChIInChI=1S/C22H23NO3/c1-5-18-21(15(3)17-8-6-7-9-19(17)23-18)22(24)26-13-16-12-14(2)10-11-20(16)25-4/h6-12H,5,13H2,1-4H3
InChIKeyHXIOVDYBQDWMDO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.78
Rot. Bonds5

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

(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 7501206) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID7501206
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1cc(C)ccc1OC
InChIInChI=1S/C22H23NO3/c1-5-18-21(15(3)17-8-6-7-9-19(17)23-18)22(24)26-13-16-12-14(2)10-11-20(16)25-4/h6-12H,5,13H2,1-4H3
InChIKeyHXIOVDYBQDWMDO-UHFFFAOYSA-N
XLogP4.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 4544484
(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847126
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502520
ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 4803634
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536657
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8667374
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30344284
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate (CID 7501206) is (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCc1cc(C)ccc1OC.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is HXIOVDYBQDWMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-5-18-21(15(3)17-8-6-7-9-19(17)23-18)22(24)26-13-16-12-14(2)10-11-20(16)25-4/h6-12H,5,13H2,1-4H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate?
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 7501206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).