4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

C16H19NO2 — CID 144769523

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(C3=CCOCC3)ccnc2C1
InChIInChI=1S/C16H19NO2/c1-16(2)9-13-15(14(18)10-16)12(3-6-17-13)11-4-7-19-8-5-11/h3-4,6H,5,7-10H2,1-2H3
InChIKeyMWGLCIKJQMDXTG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.04
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 144769523) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID144769523
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(C3=CCOCC3)ccnc2C1
InChIInChI=1S/C16H19NO2/c1-16(2)9-13-15(14(18)10-16)12(3-6-17-13)11-4-7-19-8-5-11/h3-4,6H,5,7-10H2,1-2H3
InChIKeyMWGLCIKJQMDXTG-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 144769523) is 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2c(C3=CCOCC3)ccnc2C1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is MWGLCIKJQMDXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)9-13-15(14(18)10-16)12(3-6-17-13)11-4-7-19-8-5-11/h3-4,6H,5,7-10H2,1-2H3.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 257.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 144769523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).