oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate

C15H14ClNO3 — CID 61237122

IUPACoxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
SMILESO=C(OCC1CCOC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H14ClNO3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(18)20-9-10-5-6-19-8-10/h1-4,7,10H,5-6,8-9H2
InChIKeyIZJLCXVEVYONQE-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.08
Rot. Bonds3

About oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate

oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate (PubChem CID 61237122) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
PubChem CID61237122
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameoxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
SMILESO=C(OCC1CCOC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H14ClNO3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(18)20-9-10-5-6-19-8-10/h1-4,7,10H,5-6,8-9H2
InChIKeyIZJLCXVEVYONQE-UHFFFAOYSA-N
XLogP3.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate (CID 61237122) is oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate is O=C(OCC1CCOC1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate?
The InChIKey is IZJLCXVEVYONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(18)20-9-10-5-6-19-8-10/h1-4,7,10H,5-6,8-9H2.
What are the key properties of oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate?
oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate is sourced from PubChem (CID 61237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).