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

C20H21N5O3 — CID 108741817

IUPAC3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(=O)[nH]n4)CC3)nc12
InChIInChI=1S/C20H21N5O3/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/h3-7,12H,8-11H2,1-2H3,(H,23,26)
InChIKeyYUMGZBPVRLZRSI-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.60
Rot. Bonds3

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

3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 108741817) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID108741817
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(=O)[nH]n4)CC3)nc12
InChIInChI=1S/C20H21N5O3/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/h3-7,12H,8-11H2,1-2H3,(H,23,26)
InChIKeyYUMGZBPVRLZRSI-UHFFFAOYSA-N
XLogP1.60
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
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
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048

Frequently Asked Questions

What is the IUPAC name of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 108741817) is 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is COc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(=O)[nH]n4)CC3)nc12.
What is the InChIKey of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YUMGZBPVRLZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/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/h3-7,12H,8-11H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 379.42 g/mol, XLogP of 1.60, 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]-1H-pyridazin-6-one is sourced from PubChem (CID 108741817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).