4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile

C20H19N3O2 — CID 133390220

IUPAC4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
SMILESCOc1cccc(COCCNc2cc(C#N)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O2/c1-24-17-6-4-5-15(11-17)14-25-10-9-22-20-12-16(13-21)23-19-8-3-2-7-18(19)20/h2-8,11-12H,9-10,14H2,1H3,(H,22,23)
InChIKeyJODBONYSNYNXEG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.74
Rot. Bonds7

About 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile

4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile (PubChem CID 133390220) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
PubChem CID133390220
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
SMILESCOc1cccc(COCCNc2cc(C#N)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O2/c1-24-17-6-4-5-15(11-17)14-25-10-9-22-20-12-16(13-21)23-19-8-3-2-7-18(19)20/h2-8,11-12H,9-10,14H2,1H3,(H,22,23)
InChIKeyJODBONYSNYNXEG-UHFFFAOYSA-N
XLogP3.74
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
CID 133390237
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile (CID 133390220) is 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile is COc1cccc(COCCNc2cc(C#N)nc3ccccc23)c1.
What is the InChIKey of 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile?
The InChIKey is JODBONYSNYNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-17-6-4-5-15(11-17)14-25-10-9-22-20-12-16(13-21)23-19-8-3-2-7-18(19)20/h2-8,11-12H,9-10,14H2,1H3,(H,22,23).
What are the key properties of 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile?
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133390220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).