[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine

C22H19FN6 — CID 143662647

IUPAC[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
SMILES[H]/N=C(/C(F)c1ccc2ncccc2c1)n1nc(-c2ccc(CN)cc2)cc/c1=N\[H]
InChIInChI=1S/C22H19FN6/c23-21(17-7-8-18-16(12-17)2-1-11-27-18)22(26)29-20(25)10-9-19(28-29)15-5-3-14(13-24)4-6-15/h1-12,21,25-26H,13,24H2/b25-20+,26-22-
InChIKeyPWROMSHMHFHHEA-SAYJSYKHSA-N
MW386.43 g/mol
LogP3.57
Rot. Bonds4

About [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine

[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine (PubChem CID 143662647) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
PubChem CID143662647
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
SMILES[H]/N=C(/C(F)c1ccc2ncccc2c1)n1nc(-c2ccc(CN)cc2)cc/c1=N\[H]
InChIInChI=1S/C22H19FN6/c23-21(17-7-8-18-16(12-17)2-1-11-27-18)22(26)29-20(25)10-9-19(28-29)15-5-3-14(13-24)4-6-15/h1-12,21,25-26H,13,24H2/b25-20+,26-22-
InChIKeyPWROMSHMHFHHEA-SAYJSYKHSA-N
XLogP3.57
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
CID 59320374
6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
CID 143662608
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-quinolin-6-ylpropan-1-amine
CID 79002101
5-[1-(2,2-difluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]thiophene-2-carboxylic acid
CID 130414013
2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
CID 159246626
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
2-[2-fluoro-2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-1,2,4-triazin-3-imine
CID 143662489

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine (CID 143662647) is [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine is [H]/N=C(/C(F)c1ccc2ncccc2c1)n1nc(-c2ccc(CN)cc2)cc/c1=N\[H].
What is the InChIKey of [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine?
The InChIKey is PWROMSHMHFHHEA-SAYJSYKHSA-N. The full InChI is InChI=1S/C22H19FN6/c23-21(17-7-8-18-16(12-17)2-1-11-27-18)22(26)29-20(25)10-9-19(28-29)15-5-3-14(13-24)4-6-15/h1-12,21,25-26H,13,24H2/b25-20+,26-22-.
What are the key properties of [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine?
[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine has a molecular weight of 386.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine is sourced from PubChem (CID 143662647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).