1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine

C24H32N4O4 — CID 58060217

IUPAC1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCC[N+]3([O-])CCOCC3)n2)c1
InChIInChI=1S/C24H32N4O4/c1-20-3-2-4-21(15-20)18-25-19-22-16-23(27-5-10-30-11-6-27)17-24(26-22)32-14-9-28(29)7-12-31-13-8-28/h2-4,15-18H,5-14,19H2,1H3/b25-18+
InChIKeyWOTWQFVBLIDAKX-XIEYBQDHSA-N
MW440.54 g/mol
LogP2.57
Rot. Bonds8

About 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine

1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine (PubChem CID 58060217) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
PubChem CID58060217
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCC[N+]3([O-])CCOCC3)n2)c1
InChIInChI=1S/C24H32N4O4/c1-20-3-2-4-21(15-20)18-25-19-22-16-23(27-5-10-30-11-6-27)17-24(26-22)32-14-9-28(29)7-12-31-13-8-28/h2-4,15-18H,5-14,19H2,1H3/b25-18+
InChIKeyWOTWQFVBLIDAKX-XIEYBQDHSA-N
XLogP2.57
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
CID 58060439
N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060561
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
2-methyl-1-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-3-propylguanidine
CID 58060487
N-methyl-3-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyliminomethyl]aniline
CID 58060175
1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 58060410
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58530985

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine?
The IUPAC name of 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine (CID 58060217) is 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine is Cc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCC[N+]3([O-])CCOCC3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine?
The InChIKey is WOTWQFVBLIDAKX-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-20-3-2-4-21(15-20)18-25-19-22-16-23(27-5-10-30-11-6-27)17-24(26-22)32-14-9-28(29)7-12-31-13-8-28/h2-4,15-18H,5-14,19H2,1H3/b25-18+.
What are the key properties of 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine?
1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine has a molecular weight of 440.54 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine is sourced from PubChem (CID 58060217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).