4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one

C22H24N4O3 — CID 126927665

IUPAC4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)18-8-9-20(28)26(24-18)13-14-11-25(12-14)21(29)16-10-19(27)23-17-7-5-4-6-15(16)17/h4-10,14H,11-13H2,1-3H3,(H,23,27)
InChIKeyKVGXFUSVTXWLGL-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.15
Rot. Bonds3

About 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one

4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 126927665) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID126927665
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)18-8-9-20(28)26(24-18)13-14-11-25(12-14)21(29)16-10-19(27)23-17-7-5-4-6-15(16)17/h4-10,14H,11-13H2,1-3H3,(H,23,27)
InChIKeyKVGXFUSVTXWLGL-UHFFFAOYSA-N
XLogP2.15
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one (CID 126927665) is 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one is CC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1.
What is the InChIKey of 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is KVGXFUSVTXWLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2,3)18-8-9-20(28)26(24-18)13-14-11-25(12-14)21(29)16-10-19(27)23-17-7-5-4-6-15(16)17/h4-10,14H,11-13H2,1-3H3,(H,23,27).
What are the key properties of 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one?
4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 126927665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).