N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide

C18H21N3 — CID 145091248

IUPACN-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide
SMILESC/C=C\C(=C/N=C(\C)C#N)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H21N3/c1-4-6-17(13-20-14(2)12-19)15-8-9-18-16(11-15)7-5-10-21(18)3/h4,6,8-9,11,13H,5,7,10H2,1-3H3/b6-4-,17-13+,20-14+
InChIKeyZMEDWYLUICXCOG-PCOFKJHMSA-N
MW279.39 g/mol
LogP3.97
Rot. Bonds3

About N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide

N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide (PubChem CID 145091248) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide
PubChem CID145091248
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide
SMILESC/C=C\C(=C/N=C(\C)C#N)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H21N3/c1-4-6-17(13-20-14(2)12-19)15-8-9-18-16(11-15)7-5-10-21(18)3/h4,6,8-9,11,13H,5,7,10H2,1-3H3/b6-4-,17-13+,20-14+
InChIKeyZMEDWYLUICXCOG-PCOFKJHMSA-N
XLogP3.97
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide with MolForge

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Related Compounds

(1-methyl-3,4-dihydro-2H-quinolin-6-yl) thiocyanate
CID 1079755
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine
CID 145090918
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
CID 144840756
3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 54052728
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine
CID 89422940
methyl 3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoate
CID 54007098
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide?
The IUPAC name of N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide (CID 145091248) is N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide.
What is the SMILES notation for N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide?
The canonical SMILES for N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide is C/C=C\C(=C/N=C(\C)C#N)c1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide?
The InChIKey is ZMEDWYLUICXCOG-PCOFKJHMSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-6-17(13-20-14(2)12-19)15-8-9-18-16(11-15)7-5-10-21(18)3/h4,6,8-9,11,13H,5,7,10H2,1-3H3/b6-4-,17-13+,20-14+.
What are the key properties of N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide?
N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide has a molecular weight of 279.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide is sourced from PubChem (CID 145091248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).