4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one

C15H17ClN4O — CID 131953422

IUPAC4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one
SMILESCN1CCc2c(cccc2Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
InChIKeyYJJYUKCKKSVTAG-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.17
Rot. Bonds2

About 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one (PubChem CID 131953422) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one
PubChem CID131953422
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one
SMILESCN1CCc2c(cccc2Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
InChIKeyYJJYUKCKKSVTAG-UHFFFAOYSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one (CID 131953422) is 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one is CN1CCc2c(cccc2Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one?
The InChIKey is YJJYUKCKKSVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one has a molecular weight of 304.78 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]pyridazin-3-one is sourced from PubChem (CID 131953422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).