3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one

C19H15N5O — CID 108779538

IUPAC3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one
SMILESCc1nc2ccccc2nc1Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C19H15N5O/c1-12-19(22-17-8-3-2-7-16(17)20-12)21-14-6-4-5-13(11-14)15-9-10-18(25)24-23-15/h2-11H,1H3,(H,21,22)(H,24,25)
InChIKeyUPFMKOYFSGZHPT-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.43
Rot. Bonds3

About 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one

3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one (PubChem CID 108779538) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one
PubChem CID108779538
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one
SMILESCc1nc2ccccc2nc1Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C19H15N5O/c1-12-19(22-17-8-3-2-7-16(17)20-12)21-14-6-4-5-13(11-14)15-9-10-18(25)24-23-15/h2-11H,1H3,(H,21,22)(H,24,25)
InChIKeyUPFMKOYFSGZHPT-UHFFFAOYSA-N
XLogP3.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
3-[3-[(6-amino-5-nitropyrimidin-4-yl)amino]phenyl]-1H-pyridazin-6-one
CID 108779525
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
CID 108784094
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
CID 95303598
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-(4-iodophenyl)-3-methylquinoxalin-2-amine
CID 14937972
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
CID 161067941
CID 161067941

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one (CID 108779538) is 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one is Cc1nc2ccccc2nc1Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one?
The InChIKey is UPFMKOYFSGZHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-12-19(22-17-8-3-2-7-16(17)20-12)21-14-6-4-5-13(11-14)15-9-10-18(25)24-23-15/h2-11H,1H3,(H,21,22)(H,24,25).
What are the key properties of 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one?
3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one has a molecular weight of 329.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methylquinoxalin-2-yl)amino]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 108779538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).