[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate

C19H17ClN2O4 — CID 1279809

IUPAC[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate
SMILESO=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C19H17ClN2O4/c20-15-11-13(12-22-6-9-24-10-7-22)18(17-14(15)3-1-5-21-17)26-19(23)16-4-2-8-25-16/h1-5,8,11H,6-7,9-10,12H2
InChIKeyXWGBXBKRTBKXTQ-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.53
Rot. Bonds4

About [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate

[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate (PubChem CID 1279809) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate
PubChem CID1279809
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate
SMILESO=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C19H17ClN2O4/c20-15-11-13(12-22-6-9-24-10-7-22)18(17-14(15)3-1-5-21-17)26-19(23)16-4-2-8-25-16/h1-5,8,11H,6-7,9-10,12H2
InChIKeyXWGBXBKRTBKXTQ-UHFFFAOYSA-N
XLogP3.53
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate?
The IUPAC name of [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate (CID 1279809) is [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate.
What is the SMILES notation for [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate?
The canonical SMILES for [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate is O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccco1.
What is the InChIKey of [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate?
The InChIKey is XWGBXBKRTBKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-15-11-13(12-22-6-9-24-10-7-22)18(17-14(15)3-1-5-21-17)26-19(23)16-4-2-8-25-16/h1-5,8,11H,6-7,9-10,12H2.
What are the key properties of [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate?
[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] furan-2-carboxylate is sourced from PubChem (CID 1279809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).