2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine

C20H18FN7 — CID 70665637

IUPAC2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
SMILES[H]/N=C(/Cc1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C20H18FN7/c1-12-3-4-19(22)28(26-12)20(23)7-13-5-14-6-15(16-10-25-27(2)11-16)9-24-18(14)8-17(13)21/h3-6,8-11,22-23H,7H2,1-2H3/b22-19+,23-20-
InChIKeyFSPZGXPETGMUJK-JMALZQNKSA-N
MW375.41 g/mol
LogP2.83
Rot. Bonds3

About 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine

2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine (PubChem CID 70665637) has the molecular formula C20H18FN7 and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine.

Molecular Properties

Compound Name2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
PubChem CID70665637
Molecular FormulaC20H18FN7
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
SMILES[H]/N=C(/Cc1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C20H18FN7/c1-12-3-4-19(22)28(26-12)20(23)7-13-5-14-6-15(16-10-25-27(2)11-16)9-24-18(14)8-17(13)21/h3-6,8-11,22-23H,7H2,1-2H3/b22-19+,23-20-
InChIKeyFSPZGXPETGMUJK-JMALZQNKSA-N
XLogP2.83
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
CID 143662580
6-ethyl-2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]pyridazin-2-ium-3-amine
CID 143662517
[3-(1-methylpyrazol-4-yl)quinolin-6-yl] 6-imino-3-(1-methylpyrazol-4-yl)pyridazine-1-carboximidothioate
CID 143663006
2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 143662458
2-[2-fluoro-2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-1,2,4-triazin-3-imine
CID 143662489
6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
CID 141473573
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339192
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456392
N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
CID 141370272
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The IUPAC name of 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine (CID 70665637) is 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine.
What is the SMILES notation for 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The canonical SMILES for 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine is [H]/N=C(/Cc1cc2cc(-c3cnn(C)c3)cnc2cc1F)n1nc(C)cc/c1=N\[H].
What is the InChIKey of 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The InChIKey is FSPZGXPETGMUJK-JMALZQNKSA-N. The full InChI is InChI=1S/C20H18FN7/c1-12-3-4-19(22)28(26-12)20(23)7-13-5-14-6-15(16-10-25-27(2)11-16)9-24-18(14)8-17(13)21/h3-6,8-11,22-23H,7H2,1-2H3/b22-19+,23-20-.
What are the key properties of 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine has a molecular weight of 375.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine is sourced from PubChem (CID 70665637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).