ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate

C19H17NO4 — CID 1479952

IUPACethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-23-19(21)15-12-20-17-14(10-7-11-16(17)22-2)18(15)24-13-8-5-4-6-9-13/h4-12H,3H2,1-2H3
InChIKeyFTVRZRQVJFHSHX-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.21
Rot. Bonds5

About ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate

ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate (PubChem CID 1479952) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate
PubChem CID1479952
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-23-19(21)15-12-20-17-14(10-7-11-16(17)22-2)18(15)24-13-8-5-4-6-9-13/h4-12H,3H2,1-2H3
InChIKeyFTVRZRQVJFHSHX-UHFFFAOYSA-N
XLogP4.21
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate (CID 1479952) is ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccccc1.
What is the InChIKey of ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate?
The InChIKey is FTVRZRQVJFHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-23-19(21)15-12-20-17-14(10-7-11-16(17)22-2)18(15)24-13-8-5-4-6-9-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate?
ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate is sourced from PubChem (CID 1479952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).