5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one

C16H16ClN5O — CID 133327918

IUPAC5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)c1cc(CNc2cn[nH]c(=O)c2Cl)c2ccccc2n1
InChIInChI=1S/C16H16ClN5O/c1-22(2)14-7-10(11-5-3-4-6-12(11)20-14)8-18-13-9-19-21-16(23)15(13)17/h3-7,9H,8H2,1-2H3,(H2,18,21,23)
InChIKeyUJEBAWGFWFIGCK-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 133327918) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
PubChem CID133327918
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)c1cc(CNc2cn[nH]c(=O)c2Cl)c2ccccc2n1
InChIInChI=1S/C16H16ClN5O/c1-22(2)14-7-10(11-5-3-4-6-12(11)20-14)8-18-13-9-19-21-16(23)15(13)17/h3-7,9H,8H2,1-2H3,(H2,18,21,23)
InChIKeyUJEBAWGFWFIGCK-UHFFFAOYSA-N
XLogP2.65
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
CID 122143383
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
CID 111478646
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
methyl 4-chloro-2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 133327857
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
CID 95376853
4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine
CID 133341371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one (CID 133327918) is 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one is CN(C)c1cc(CNc2cn[nH]c(=O)c2Cl)c2ccccc2n1.
What is the InChIKey of 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is UJEBAWGFWFIGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-22(2)14-7-10(11-5-3-4-6-12(11)20-14)8-18-13-9-19-21-16(23)15(13)17/h3-7,9H,8H2,1-2H3,(H2,18,21,23).
What are the key properties of 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 329.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).