6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one

C15H17N3O2 — CID 14476555

IUPAC6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3=NNC(=O)C3(C)C)ccc21
InChIInChI=1S/C15H17N3O2/c1-15(2)13(16-17-14(15)20)10-4-6-11-9(8-10)5-7-12(19)18(11)3/h4,6,8H,5,7H2,1-3H3,(H,17,20)
InChIKeyQNTINZBRNQYXFH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.46
Rot. Bonds1

About 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 14476555) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID14476555
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3=NNC(=O)C3(C)C)ccc21
InChIInChI=1S/C15H17N3O2/c1-15(2)13(16-17-14(15)20)10-4-6-11-9(8-10)5-7-12(19)18(11)3/h4,6,8H,5,7H2,1-3H3,(H,17,20)
InChIKeyQNTINZBRNQYXFH-UHFFFAOYSA-N
XLogP1.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 14476555) is 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C3=NNC(=O)C3(C)C)ccc21.
What is the InChIKey of 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QNTINZBRNQYXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2)13(16-17-14(15)20)10-4-6-11-9(8-10)5-7-12(19)18(11)3/h4,6,8H,5,7H2,1-3H3,(H,17,20).
What are the key properties of 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14476555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).