ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate

C21H22N2O4 — CID 133347254

IUPACethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOC(c3ccco3)C2)nc2ccccc2c1C
InChIInChI=1S/C21H22N2O4/c1-3-25-21(24)19-14(2)15-7-4-5-8-16(15)22-20(19)23-10-12-27-18(13-23)17-9-6-11-26-17/h4-9,11,18H,3,10,12-13H2,1-2H3
InChIKeyXVPSQFGXCUAONT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.89
Rot. Bonds4

About ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate

ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate (PubChem CID 133347254) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate
PubChem CID133347254
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOC(c3ccco3)C2)nc2ccccc2c1C
InChIInChI=1S/C21H22N2O4/c1-3-25-21(24)19-14(2)15-7-4-5-8-16(15)22-20(19)23-10-12-27-18(13-23)17-9-6-11-26-17/h4-9,11,18H,3,10,12-13H2,1-2H3
InChIKeyXVPSQFGXCUAONT-UHFFFAOYSA-N
XLogP3.89
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate (CID 133347254) is ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate is CCOC(=O)c1c(N2CCOC(c3ccco3)C2)nc2ccccc2c1C.
What is the InChIKey of ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate?
The InChIKey is XVPSQFGXCUAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-25-21(24)19-14(2)15-7-4-5-8-16(15)22-20(19)23-10-12-27-18(13-23)17-9-6-11-26-17/h4-9,11,18H,3,10,12-13H2,1-2H3.
What are the key properties of ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate?
ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 133347254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).