2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one

C22H21ClN4O2 — CID 133273149

IUPAC2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
SMILESO=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c23-21-18(13-25-27(22(21)29)15-16-7-2-1-3-8-16)24-14-20(28)26-12-6-10-17-9-4-5-11-19(17)26/h1-5,7-9,11,13,24H,6,10,12,14-15H2
InChIKeyWVJCZOFFKJSUFZ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.34
Rot. Bonds5

About 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one

2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one (PubChem CID 133273149) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
PubChem CID133273149
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
SMILESO=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C22H21ClN4O2/c23-21-18(13-25-27(22(21)29)15-16-7-2-1-3-8-16)24-14-20(28)26-12-6-10-17-9-4-5-11-19(17)26/h1-5,7-9,11,13,24H,6,10,12,14-15H2
InChIKeyWVJCZOFFKJSUFZ-UHFFFAOYSA-N
XLogP3.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133285027
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
6-chloro-7-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
CID 71897217
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
methyl N-[4-[[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]phenyl]carbamate
CID 60504808

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one (CID 133273149) is 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one is O=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)N1CCCc2ccccc21.
What is the InChIKey of 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one?
The InChIKey is WVJCZOFFKJSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-21-18(13-25-27(22(21)29)15-16-7-2-1-3-8-16)24-14-20(28)26-12-6-10-17-9-4-5-11-19(17)26/h1-5,7-9,11,13,24H,6,10,12,14-15H2.
What are the key properties of 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one?
2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one has a molecular weight of 408.89 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one is sourced from PubChem (CID 133273149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).