2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one

C22H20N4O2 — CID 59843110

IUPAC2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc2c(NCCn3nc(-c4ccccc4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H20N4O2/c1-28-17-7-8-18-20(11-12-23-21(18)15-17)24-13-14-26-22(27)10-9-19(25-26)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyPDUWVSMMGDQCNP-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.58
Rot. Bonds6

About 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one

2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one (PubChem CID 59843110) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
PubChem CID59843110
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc2c(NCCn3nc(-c4ccccc4)ccc3=O)ccnc2c1
InChIInChI=1S/C22H20N4O2/c1-28-17-7-8-18-20(11-12-23-21(18)15-17)24-13-14-26-22(27)10-9-19(25-26)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyPDUWVSMMGDQCNP-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 25019685
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
CID 25016081
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 16820346
6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 59843083
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one (CID 59843110) is 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one is COc1ccc2c(NCCn3nc(-c4ccccc4)ccc3=O)ccnc2c1.
What is the InChIKey of 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is PDUWVSMMGDQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-17-7-8-18-20(11-12-23-21(18)15-17)24-13-14-26-22(27)10-9-19(25-26)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one?
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 372.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 59843110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).