ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate

C20H19NO3 — CID 86296268

IUPACethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15/h4-12H,3,13H2,1-2H3
InChIKeyPRITXNVNTRSKTC-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.30
Rot. Bonds5

About ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86296268) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
PubChem CID86296268
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15/h4-12H,3,13H2,1-2H3
InChIKeyPRITXNVNTRSKTC-UHFFFAOYSA-N
XLogP4.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate (CID 86296268) is ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is PRITXNVNTRSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86296268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).