2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one

C17H21NO3 — CID 11392055

IUPAC2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one
SMILESCCCCOC1CCc2c(c3ccccc3n(C)c2=O)O1
InChIInChI=1S/C17H21NO3/c1-3-4-11-20-15-10-9-13-16(21-15)12-7-5-6-8-14(12)18(2)17(13)19/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyINWJZZMOASTWTL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.01
Rot. Bonds4

About 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one

2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one (PubChem CID 11392055) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one
PubChem CID11392055
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one
SMILESCCCCOC1CCc2c(c3ccccc3n(C)c2=O)O1
InChIInChI=1S/C17H21NO3/c1-3-4-11-20-15-10-9-13-16(21-15)12-7-5-6-8-14(12)18(2)17(13)19/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyINWJZZMOASTWTL-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one (CID 11392055) is 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one is CCCCOC1CCc2c(c3ccccc3n(C)c2=O)O1.
What is the InChIKey of 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is INWJZZMOASTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-4-11-20-15-10-9-13-16(21-15)12-7-5-6-8-14(12)18(2)17(13)19/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one?
2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 287.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 11392055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).