methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate

C15H15NO5 — CID 59397950

IUPACmethyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C15H15NO5/c1-19-15(18)11-8-13(17)16(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeyHBIGMSUETFWFAN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.16
Rot. Bonds3

About methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate

methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate (PubChem CID 59397950) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate
PubChem CID59397950
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12
InChIInChI=1S/C15H15NO5/c1-19-15(18)11-8-13(17)16(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeyHBIGMSUETFWFAN-UHFFFAOYSA-N
XLogP1.16
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate?
The IUPAC name of methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate (CID 59397950) is methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate is COC(=O)c1cc(=O)n(CC2OCCO2)c2ccccc12.
What is the InChIKey of methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate?
The InChIKey is HBIGMSUETFWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-15(18)11-8-13(17)16(9-14-20-6-7-21-14)12-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate?
methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dioxolan-2-ylmethyl)-2-oxoquinoline-4-carboxylate is sourced from PubChem (CID 59397950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).