5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one

C16H16N2O3 — CID 3162437

IUPAC5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-20-11-7-13-16(14(8-11)21-2)12(9-15(19)18-13)10-3-5-17-6-4-10/h3-8,12H,9H2,1-2H3,(H,18,19)
InChIKeyMCVMASKKAZFGBG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.57
Rot. Bonds3

About 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one

5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3162437) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3162437
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-20-11-7-13-16(14(8-11)21-2)12(9-15(19)18-13)10-3-5-17-6-4-10/h3-8,12H,9H2,1-2H3,(H,18,19)
InChIKeyMCVMASKKAZFGBG-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one (CID 3162437) is 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2.
What is the InChIKey of 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MCVMASKKAZFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-11-7-13-16(14(8-11)21-2)12(9-15(19)18-13)10-3-5-17-6-4-10/h3-8,12H,9H2,1-2H3,(H,18,19).
What are the key properties of 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3162437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).