1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone

C17H14Cl2N4O — CID 137391062

IUPAC1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone
SMILESCC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)cnnc2c1N(C)C
InChIInChI=1S/C17H14Cl2N4O/c1-9(24)11-7-20-15-12(10-5-4-6-13(18)14(10)19)8-21-22-16(15)17(11)23(2)3/h4-8H,1-3H3
InChIKeyOLQCKCYBCKUYGQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.27
Rot. Bonds3

About 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone

1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone (PubChem CID 137391062) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone
PubChem CID137391062
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone
SMILESCC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)cnnc2c1N(C)C
InChIInChI=1S/C17H14Cl2N4O/c1-9(24)11-7-20-15-12(10-5-4-6-13(18)14(10)19)8-21-22-16(15)17(11)23(2)3/h4-8H,1-3H3
InChIKeyOLQCKCYBCKUYGQ-UHFFFAOYSA-N
XLogP4.27
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
CID 137391063
4-(2,3-dichlorophenyl)-8-morpholin-4-ylpyrido[3,2-c]pyridazine-7-carboxamide
CID 137391310
8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
CID 156882069
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
CID 175541558
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethanone
CID 71011699
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 142605167
5-(2,3-dichlorophenyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 19705124
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone (CID 137391062) is 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone is CC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)cnnc2c1N(C)C.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone?
The InChIKey is OLQCKCYBCKUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-9(24)11-7-20-15-12(10-5-4-6-13(18)14(10)19)8-21-22-16(15)17(11)23(2)3/h4-8H,1-3H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone?
1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone has a molecular weight of 361.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone is sourced from PubChem (CID 137391062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).