(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine

C24H25ClN4O2 — CID 87171823

IUPAC(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C2\CCCc3cc4cc(Cl)ccc4nc32)n1
InChIInChI=1S/C24H25ClN4O2/c1-16(28-30-2)21-9-4-7-20(26-21)8-5-13-31-29-23-10-3-6-17-14-18-15-19(25)11-12-22(18)27-24(17)23/h4,7,9,11-12,14-15H,3,5-6,8,10,13H2,1-2H3/b28-16+,29-23+
InChIKeyWVTXEYVTKLBMTH-URUPHPBRSA-N
MW436.94 g/mol
LogP5.34
Rot. Bonds7

About (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine

(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine (PubChem CID 87171823) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine.

Molecular Properties

Compound Name(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine
PubChem CID87171823
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C2\CCCc3cc4cc(Cl)ccc4nc32)n1
InChIInChI=1S/C24H25ClN4O2/c1-16(28-30-2)21-9-4-7-20(26-21)8-5-13-31-29-23-10-3-6-17-14-18-15-19(25)11-12-22(18)27-24(17)23/h4,7,9,11-12,14-15H,3,5-6,8,10,13H2,1-2H3/b28-16+,29-23+
InChIKeyWVTXEYVTKLBMTH-URUPHPBRSA-N
XLogP5.34
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine?
The IUPAC name of (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine (CID 87171823) is (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine.
What is the SMILES notation for (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine?
The canonical SMILES for (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine is CO/N=C(\C)c1cccc(CCCO/N=C2\CCCc3cc4cc(Cl)ccc4nc32)n1.
What is the InChIKey of (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine?
The InChIKey is WVTXEYVTKLBMTH-URUPHPBRSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16(28-30-2)21-9-4-7-20(26-21)8-5-13-31-29-23-10-3-6-17-14-18-15-19(25)11-12-22(18)27-24(17)23/h4,7,9,11-12,14-15H,3,5-6,8,10,13H2,1-2H3/b28-16+,29-23+.
What are the key properties of (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine?
(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine has a molecular weight of 436.94 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine is sourced from PubChem (CID 87171823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).