7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one

C16H17NO3 — CID 5315422

IUPAC7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
SMILESCOc1cccc2c3c(c(=O)n(C)c12)C=CC(C)(C)O3
InChIInChI=1S/C16H17NO3/c1-16(2)9-8-11-14(20-16)10-6-5-7-12(19-4)13(10)17(3)15(11)18/h5-9H,1-4H3
InChIKeySYNIFQKDJZQOLI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds1

About 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one

7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one (PubChem CID 5315422) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
PubChem CID5315422
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
SMILESCOc1cccc2c3c(c(=O)n(C)c12)C=CC(C)(C)O3
InChIInChI=1S/C16H17NO3/c1-16(2)9-8-11-14(20-16)10-6-5-7-12(19-4)13(10)17(3)15(11)18/h5-9H,1-4H3
InChIKeySYNIFQKDJZQOLI-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one?
The IUPAC name of 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one (CID 5315422) is 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one is COc1cccc2c3c(c(=O)n(C)c12)C=CC(C)(C)O3.
What is the InChIKey of 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one?
The InChIKey is SYNIFQKDJZQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2)9-8-11-14(20-16)10-6-5-7-12(19-4)13(10)17(3)15(11)18/h5-9H,1-4H3.
What are the key properties of 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one?
7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one has a molecular weight of 271.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 5315422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).