6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine

C20H18N6 — CID 143662580

IUPAC6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncc(-c3ccc[nH]3)cc2c1)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C20H18N6/c1-13-4-7-19(21)26(25-13)20(22)10-14-5-6-18-15(9-14)11-16(12-24-18)17-3-2-8-23-17/h2-9,11-12,21-23H,10H2,1H3/b21-19+,22-20-
InChIKeyGIKTXVQMGUSHCZ-FHGBILNFSA-N
MW342.41 g/mol
LogP3.28
Rot. Bonds3

About 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine

6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine (PubChem CID 143662580) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine.

Molecular Properties

Compound Name6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
PubChem CID143662580
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncc(-c3ccc[nH]3)cc2c1)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C20H18N6/c1-13-4-7-19(21)26(25-13)20(22)10-14-5-6-18-15(9-14)11-16(12-24-18)17-3-2-8-23-17/h2-9,11-12,21-23H,10H2,1H3/b21-19+,22-20-
InChIKeyGIKTXVQMGUSHCZ-FHGBILNFSA-N
XLogP3.28
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 70665637
6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623
6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662814
2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 143662458
6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
CID 143662608
2-[2-[3-(5-bromopyrimidin-2-yl)phenyl]ethanimidoyl]-6-methoxypyridazin-3-imine
CID 89416158
(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine
CID 143662890
[3-(1-methylpyrazol-4-yl)quinolin-6-yl] 6-imino-3-(1-methylpyrazol-4-yl)pyridazine-1-carboximidothioate
CID 143663006
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(1H-pyrrol-2-yl)-1,5-naphthyridine
CID 167367044
2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline
CID 163835390
4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzoic acid
CID 59320275
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
CID 154445104

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine?
The IUPAC name of 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine (CID 143662580) is 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine.
What is the SMILES notation for 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine?
The canonical SMILES for 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine is [H]/N=C(/Cc1ccc2ncc(-c3ccc[nH]3)cc2c1)n1nc(C)cc/c1=N\[H].
What is the InChIKey of 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine?
The InChIKey is GIKTXVQMGUSHCZ-FHGBILNFSA-N. The full InChI is InChI=1S/C20H18N6/c1-13-4-7-19(21)26(25-13)20(22)10-14-5-6-18-15(9-14)11-16(12-24-18)17-3-2-8-23-17/h2-9,11-12,21-23H,10H2,1H3/b21-19+,22-20-.
What are the key properties of 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine?
6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine has a molecular weight of 342.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine is sourced from PubChem (CID 143662580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).