1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C15H21NO3 — CID 110671550

IUPAC1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCc2c(OC)cc(OC)cc21
InChIInChI=1S/C15H21NO3/c1-4-6-15(17)16-8-5-7-12-13(16)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3
InChIKeyMLKFWMLDVYNBCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds4

About 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 110671550) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID110671550
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCc2c(OC)cc(OC)cc21
InChIInChI=1S/C15H21NO3/c1-4-6-15(17)16-8-5-7-12-13(16)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3
InChIKeyMLKFWMLDVYNBCJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 110671550) is 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCCC(=O)N1CCCc2c(OC)cc(OC)cc21.
What is the InChIKey of 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is MLKFWMLDVYNBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-6-15(17)16-8-5-7-12-13(16)9-11(18-2)10-14(12)19-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 263.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 110671550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).