(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine

C18H18N6S — CID 143662890

IUPAC(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cnc2ccc(SCn3nc(C)cc/c3=N\[H])cc2c1
InChIInChI=1S/C18H18N6S/c1-12-2-5-18(21)24(23-12)11-25-16-3-4-17-13(7-16)6-14(10-22-17)15(8-19)9-20/h2-10,19,21H,11,20H2,1H3/b15-9+,19-8+,21-18+
InChIKeyISALCCQNBYPZIJ-UOEWSMKFSA-N
MW350.45 g/mol
LogP2.92
Rot. Bonds5

About (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine

(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine (PubChem CID 143662890) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine
PubChem CID143662890
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cnc2ccc(SCn3nc(C)cc/c3=N\[H])cc2c1
InChIInChI=1S/C18H18N6S/c1-12-2-5-18(21)24(23-12)11-25-16-3-4-17-13(7-16)6-14(10-22-17)15(8-19)9-20/h2-10,19,21H,11,20H2,1H3/b15-9+,19-8+,21-18+
InChIKeyISALCCQNBYPZIJ-UOEWSMKFSA-N
XLogP2.92
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine (CID 143662890) is (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)c1cnc2ccc(SCn3nc(C)cc/c3=N\[H])cc2c1.
What is the InChIKey of (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine?
The InChIKey is ISALCCQNBYPZIJ-UOEWSMKFSA-N. The full InChI is InChI=1S/C18H18N6S/c1-12-2-5-18(21)24(23-12)11-25-16-3-4-17-13(7-16)6-14(10-22-17)15(8-19)9-20/h2-10,19,21H,11,20H2,1H3/b15-9+,19-8+,21-18+.
What are the key properties of (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine?
(Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine has a molecular weight of 350.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[6-[(6-imino-3-methylpyridazin-1-yl)methylsulfanyl]quinolin-3-yl]prop-1-en-1-amine is sourced from PubChem (CID 143662890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).