6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile

C25H34N6O — CID 144786423

IUPAC6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(/C(N)=C/C=C(\N)N(C)C3CC(C)(C)NC(C)(C)C3)c(O)cc2n1
InChIInChI=1S/C25H34N6O/c1-15-9-16(14-26)18-10-19(22(32)11-21(18)29-15)20(27)7-8-23(28)31(6)17-12-24(2,3)30-25(4,5)13-17/h7-11,17,30,32H,12-13,27-28H2,1-6H3/b20-7-,23-8+
InChIKeySHAMNFAQIWFGIW-VFINQLGGSA-N
MW434.59 g/mol
LogP3.46
Rot. Bonds4

About 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile

6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile (PubChem CID 144786423) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile
PubChem CID144786423
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(/C(N)=C/C=C(\N)N(C)C3CC(C)(C)NC(C)(C)C3)c(O)cc2n1
InChIInChI=1S/C25H34N6O/c1-15-9-16(14-26)18-10-19(22(32)11-21(18)29-15)20(27)7-8-23(28)31(6)17-12-24(2,3)30-25(4,5)13-17/h7-11,17,30,32H,12-13,27-28H2,1-6H3/b20-7-,23-8+
InChIKeySHAMNFAQIWFGIW-VFINQLGGSA-N
XLogP3.46
TPSA124.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile with MolForge

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Related Compounds

3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol
CID 167227450
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-4,5-difluorophenol
CID 146238310
7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile
CID 136607568
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-5-fluorophenol
CID 167227795
tert-butyl N-[3-[6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxynaphthalen-2-yl]oxypropyl]carbamate
CID 146238311
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxyphenol
CID 174027211
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-3-methoxy-5-pyridin-3-ylphenol
CID 144574653
(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
CID 142497829
2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 70877997
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
CID 136607577

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile?
The IUPAC name of 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile (CID 144786423) is 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile.
What is the SMILES notation for 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile?
The canonical SMILES for 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile is Cc1cc(C#N)c2cc(/C(N)=C/C=C(\N)N(C)C3CC(C)(C)NC(C)(C)C3)c(O)cc2n1.
What is the InChIKey of 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile?
The InChIKey is SHAMNFAQIWFGIW-VFINQLGGSA-N. The full InChI is InChI=1S/C25H34N6O/c1-15-9-16(14-26)18-10-19(22(32)11-21(18)29-15)20(27)7-8-23(28)31(6)17-12-24(2,3)30-25(4,5)13-17/h7-11,17,30,32H,12-13,27-28H2,1-6H3/b20-7-,23-8+.
What are the key properties of 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile?
6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile has a molecular weight of 434.59 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-7-hydroxy-2-methylquinoline-4-carbonitrile is sourced from PubChem (CID 144786423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).