3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C27H35N7O — CID 137197267

IUPAC3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESC=N/C(=C\NC)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C27H35N7O/c1-26(2)13-19(14-27(3,4)33-26)34(7)25-9-8-21(31-32-25)20-11-17-10-18(23(29-6)16-28-5)15-30-22(17)12-24(20)35/h8-12,15-16,19,28,33,35H,6,13-14H2,1-5,7H3/b23-16-
InChIKeyNCNKOIFDGCQALY-KQWNVCNZSA-N
MW473.63 g/mol
LogP4.36
Rot. Bonds6

About 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 137197267) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID137197267
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESC=N/C(=C\NC)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C27H35N7O/c1-26(2)13-19(14-27(3,4)33-26)34(7)25-9-8-21(31-32-25)20-11-17-10-18(23(29-6)16-28-5)15-30-22(17)12-24(20)35/h8-12,15-16,19,28,33,35H,6,13-14H2,1-5,7H3/b23-16-
InChIKeyNCNKOIFDGCQALY-KQWNVCNZSA-N
XLogP4.36
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 137197267) is 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is C=N/C(=C\NC)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.
What is the InChIKey of 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is NCNKOIFDGCQALY-KQWNVCNZSA-N. The full InChI is InChI=1S/C27H35N7O/c1-26(2)13-19(14-27(3,4)33-26)34(7)25-9-8-21(31-32-25)20-11-17-10-18(23(29-6)16-28-5)15-30-22(17)12-24(20)35/h8-12,15-16,19,28,33,35H,6,13-14H2,1-5,7H3/b23-16-.
What are the key properties of 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 473.63 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 137197267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).