1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one

C19H15N5O — CID 66614049

IUPAC1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(/C=C/c3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C19H15N5O/c1-23-13-16(12-21-23)24-10-8-19(25)18(22-24)7-5-14-4-6-17-15(11-14)3-2-9-20-17/h2-13H,1H3/b7-5+
InChIKeyMIEQPLRHKYVYFO-FNORWQNLSA-N
MW329.36 g/mol
LogP2.68
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one (PubChem CID 66614049) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one
PubChem CID66614049
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(/C=C/c3ccc4ncccc4c3)n2)cn1
InChIInChI=1S/C19H15N5O/c1-23-13-16(12-21-23)24-10-8-19(25)18(22-24)7-5-14-4-6-17-15(11-14)3-2-9-20-17/h2-13H,1H3/b7-5+
InChIKeyMIEQPLRHKYVYFO-FNORWQNLSA-N
XLogP2.68
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[(quinolin-6-ylamino)methyl]pyridazin-4-one
CID 56645694
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
CID 170319859
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67344539
1-(1-methylpyrazol-4-yl)-3-[[3-(2-morpholin-4-ylethoxy)quinolin-6-yl]methyl]pyridazin-4-one
CID 53307413
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-quinolin-6-ylpyridazin-4-one
CID 59453404
6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514895
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one (CID 66614049) is 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(/C=C/c3ccc4ncccc4c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one?
The InChIKey is MIEQPLRHKYVYFO-FNORWQNLSA-N. The full InChI is InChI=1S/C19H15N5O/c1-23-13-16(12-21-23)24-10-8-19(25)18(22-24)7-5-14-4-6-17-15(11-14)3-2-9-20-17/h2-13H,1H3/b7-5+.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one has a molecular weight of 329.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[(E)-2-quinolin-6-ylethenyl]pyridazin-4-one is sourced from PubChem (CID 66614049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).