1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one

C14H15NO4 — CID 59397875

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(O)ccc12
InChIInChI=1S/C14H15NO4/c1-9-6-13(17)15(8-14-18-4-5-19-14)12-7-10(16)2-3-11(9)12/h2-3,6-7,14,16H,4-5,8H2,1H3
InChIKeyFPAGZHRPWYPFIM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.39
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one (PubChem CID 59397875) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
PubChem CID59397875
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(O)ccc12
InChIInChI=1S/C14H15NO4/c1-9-6-13(17)15(8-14-18-4-5-19-14)12-7-10(16)2-3-11(9)12/h2-3,6-7,14,16H,4-5,8H2,1H3
InChIKeyFPAGZHRPWYPFIM-UHFFFAOYSA-N
XLogP1.39
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one (CID 59397875) is 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one is Cc1cc(=O)n(CC2OCCO2)c2cc(O)ccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one?
The InChIKey is FPAGZHRPWYPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-6-13(17)15(8-14-18-4-5-19-14)12-7-10(16)2-3-11(9)12/h2-3,6-7,14,16H,4-5,8H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-hydroxy-4-methylquinolin-2-one is sourced from PubChem (CID 59397875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).