4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one

C19H25NO5 — CID 750637

IUPAC4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OC[C@H]3OC(C)(C)OC3(C)C)cccc12
InChIInChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3/t15-/m1/s1
InChIKeyHFXBOPGUQAUMHA-OAHLLOKOSA-N
MW347.41 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one

4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one (PubChem CID 750637) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one
PubChem CID750637
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OC[C@H]3OC(C)(C)OC3(C)C)cccc12
InChIInChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3/t15-/m1/s1
InChIKeyHFXBOPGUQAUMHA-OAHLLOKOSA-N
XLogP2.86
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one (CID 750637) is 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one is COc1cc(=O)n(C)c2c(OC[C@H]3OC(C)(C)OC3(C)C)cccc12.
What is the InChIKey of 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one?
The InChIKey is HFXBOPGUQAUMHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3/t15-/m1/s1.
What are the key properties of 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one?
4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one has a molecular weight of 347.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-8-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methoxy]quinolin-2-one is sourced from PubChem (CID 750637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).