1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one

C24H24N2O3 — CID 126572980

IUPAC1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C24H24N2O3/c1-16-11-20(15-25(2)24(16)28)19-12-18-9-10-22(27)26(23(18)21(13-19)29-3)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3
InChIKeyJFDTYTVVQMYOJN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.85
Rot. Bonds4

About 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one

1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 126572980) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one
PubChem CID126572980
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C24H24N2O3/c1-16-11-20(15-25(2)24(16)28)19-12-18-9-10-22(27)26(23(18)21(13-19)29-3)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3
InChIKeyJFDTYTVVQMYOJN-UHFFFAOYSA-N
XLogP3.85
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one (CID 126572980) is 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1N(Cc1ccccc1)C(=O)CC2.
What is the InChIKey of 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is JFDTYTVVQMYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-11-20(15-25(2)24(16)28)19-12-18-9-10-22(27)26(23(18)21(13-19)29-3)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3.
What are the key properties of 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one?
1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 126572980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).