(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate

C17H17NO4 — CID 11289552

IUPAC(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
SMILESCC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2
InChIInChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3
InChIKeyJXPDGNCKRXEJET-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.71
Rot. Bonds2

About (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate

(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate (PubChem CID 11289552) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate.

Molecular Properties

Compound Name(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
PubChem CID11289552
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
SMILESCC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2
InChIInChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3
InChIKeyJXPDGNCKRXEJET-UHFFFAOYSA-N
XLogP2.71
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate?
The IUPAC name of (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate (CID 11289552) is (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate.
What is the SMILES notation for (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate?
The canonical SMILES for (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate is CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2.
What is the InChIKey of (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate?
The InChIKey is JXPDGNCKRXEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3.
What are the key properties of (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate?
(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate has a molecular weight of 299.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate is sourced from PubChem (CID 11289552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).