3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol

C13H18N2O2 — CID 88583607

IUPAC3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol
SMILESCc1ccc2c(n1)/C(=N/OCCCO)CCC2
InChIInChI=1S/C13H18N2O2/c1-10-6-7-11-4-2-5-12(13(11)14-10)15-17-9-3-8-16/h6-7,16H,2-5,8-9H2,1H3/b15-12+
InChIKeyLYXODYARIZVIHP-NTCAYCPXSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds4

About 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol

3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol (PubChem CID 88583607) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol.

Molecular Properties

Compound Name3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol
PubChem CID88583607
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol
SMILESCc1ccc2c(n1)/C(=N/OCCCO)CCC2
InChIInChI=1S/C13H18N2O2/c1-10-6-7-11-4-2-5-12(13(11)14-10)15-17-9-3-8-16/h6-7,16H,2-5,8-9H2,1H3/b15-12+
InChIKeyLYXODYARIZVIHP-NTCAYCPXSA-N
XLogP1.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
CID 56655930
1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol
CID 88583506
2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
CID 123415980
(E)-N-[3-[(E)-1-(4,6-dimethylpyrimidin-2-yl)ethylideneamino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 71586728
(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
CID 56599310
(E)-4-methoxy-N-[3-[(8E)-8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl]propoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 71744520
(E)-N-[3-[(E)-(5-butoxy-2-pyridinyl)methylideneamino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 88587296
(E)-N-[3-[(E)-2,3,5,6,7,8-hexahydro-1H-acridin-4-ylideneamino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
CID 56655933
N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 123809968
(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 56655934
N-[3-[[2-bromo-1-(5-methylsulfanyl-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 123408299
N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 123794672

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol?
The IUPAC name of 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol (CID 88583607) is 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol.
What is the SMILES notation for 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol?
The canonical SMILES for 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol is Cc1ccc2c(n1)/C(=N/OCCCO)CCC2.
What is the InChIKey of 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol?
The InChIKey is LYXODYARIZVIHP-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-6-7-11-4-2-5-12(13(11)14-10)15-17-9-3-8-16/h6-7,16H,2-5,8-9H2,1H3/b15-12+.
What are the key properties of 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol?
3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol is sourced from PubChem (CID 88583607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).