(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate

C17H17NO4 — CID 23271804

IUPAC(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate
SMILESCOc1ccc2nc(OC(C)=O)c3c(c2c1)OC(C)(C)C=C3
InChIInChI=1S/C17H17NO4/c1-10(19)21-16-12-7-8-17(2,3)22-15(12)13-9-11(20-4)5-6-14(13)18-16/h5-9H,1-4H3
InChIKeySNXLNYCUUWUUKJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.35
Rot. Bonds2

About (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate

(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate (PubChem CID 23271804) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate.

Molecular Properties

Compound Name(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate
PubChem CID23271804
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate
SMILESCOc1ccc2nc(OC(C)=O)c3c(c2c1)OC(C)(C)C=C3
InChIInChI=1S/C17H17NO4/c1-10(19)21-16-12-7-8-17(2,3)22-15(12)13-9-11(20-4)5-6-14(13)18-16/h5-9H,1-4H3
InChIKeySNXLNYCUUWUUKJ-UHFFFAOYSA-N
XLogP3.35
TPSA57.65 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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate?
The IUPAC name of (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate (CID 23271804) is (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate.
What is the SMILES notation for (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate?
The canonical SMILES for (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate is COc1ccc2nc(OC(C)=O)c3c(c2c1)OC(C)(C)C=C3.
What is the InChIKey of (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate?
The InChIKey is SNXLNYCUUWUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10(19)21-16-12-7-8-17(2,3)22-15(12)13-9-11(20-4)5-6-14(13)18-16/h5-9H,1-4H3.
What are the key properties of (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate?
(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate has a molecular weight of 299.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate is sourced from PubChem (CID 23271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).