3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one

C18H19NO3 — CID 118986597

IUPAC3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
SMILESCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C
InChIInChI=1S/C18H19NO3/c1-10-9-18(3,4)19(5)15-8-16-12(6-13(10)15)7-14(11(2)20)17(21)22-16/h6-9H,1-5H3
InChIKeyJMPHVEXCKQHMMN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.63
Rot. Bonds1

About 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one

3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one (PubChem CID 118986597) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
PubChem CID118986597
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one
SMILESCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C
InChIInChI=1S/C18H19NO3/c1-10-9-18(3,4)19(5)15-8-16-12(6-13(10)15)7-14(11(2)20)17(21)22-16/h6-9H,1-5H3
InChIKeyJMPHVEXCKQHMMN-UHFFFAOYSA-N
XLogP3.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one?
The IUPAC name of 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one (CID 118986597) is 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one.
What is the SMILES notation for 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one?
The canonical SMILES for 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one is CC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C.
What is the InChIKey of 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one?
The InChIKey is JMPHVEXCKQHMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-10-9-18(3,4)19(5)15-8-16-12(6-13(10)15)7-14(11(2)20)17(21)22-16/h6-9H,1-5H3.
What are the key properties of 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one?
3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6,8,8,9-tetramethylpyrano[3,2-g]quinolin-2-one is sourced from PubChem (CID 118986597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).