3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C20H23N5O3 — CID 108741818

IUPAC3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4=NNC(=O)CC4)CC3)nc12
InChIInChI=1S/C20H23N5O3/c1-13-12-17(21-19-14(13)4-3-5-16(19)28-2)24-8-10-25(11-9-24)20(27)15-6-7-18(26)23-22-15/h3-5,12H,6-11H2,1-2H3,(H,23,26)
InChIKeyVBJTTYFBLDKGGU-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.47
Rot. Bonds3

About 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 108741818) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID108741818
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4=NNC(=O)CC4)CC3)nc12
InChIInChI=1S/C20H23N5O3/c1-13-12-17(21-19-14(13)4-3-5-16(19)28-2)24-8-10-25(11-9-24)20(27)15-6-7-18(26)23-22-15/h3-5,12H,6-11H2,1-2H3,(H,23,26)
InChIKeyVBJTTYFBLDKGGU-UHFFFAOYSA-N
XLogP1.47
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814682
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108810475
(E)-3-(4-fluorophenyl)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108764414
[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone
CID 108741843
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706

Frequently Asked Questions

What is the IUPAC name of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 108741818) is 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is COc1cccc2c(C)cc(N3CCN(C(=O)C4=NNC(=O)CC4)CC3)nc12.
What is the InChIKey of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VBJTTYFBLDKGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-12-17(21-19-14(13)4-3-5-16(19)28-2)24-8-10-25(11-9-24)20(27)15-6-7-18(26)23-22-15/h3-5,12H,6-11H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 381.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 108741818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).