acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline

C24H22N2O4 — CID 16682406

IUPACacetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline
SMILESCC(=O)O.COc1ccc2nccc(/C=C/c3ccnc4ccc(OC)cc34)c2c1
InChIInChI=1S/C22H18N2O2.C2H4O2/c1-25-17-5-7-21-19(13-17)15(9-11-23-21)3-4-16-10-12-24-22-8-6-18(26-2)14-20(16)22;1-2(3)4/h3-14H,1-2H3;1H3,(H,3,4)/b4-3+;
InChIKeyVMKQUODOFZERKS-BJILWQEISA-N
MW402.45 g/mol
LogP5.06
Rot. Bonds4

About acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline

acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline (PubChem CID 16682406) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline.

Molecular Properties

Compound Nameacetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline
PubChem CID16682406
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Nameacetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline
SMILESCC(=O)O.COc1ccc2nccc(/C=C/c3ccnc4ccc(OC)cc34)c2c1
InChIInChI=1S/C22H18N2O2.C2H4O2/c1-25-17-5-7-21-19(13-17)15(9-11-23-21)3-4-16-10-12-24-22-8-6-18(26-2)14-20(16)22;1-2(3)4/h3-14H,1-2H3;1H3,(H,3,4)/b4-3+;
InChIKeyVMKQUODOFZERKS-BJILWQEISA-N
XLogP5.06
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline?
The IUPAC name of acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline (CID 16682406) is acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline.
What is the SMILES notation for acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline?
The canonical SMILES for acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline is CC(=O)O.COc1ccc2nccc(/C=C/c3ccnc4ccc(OC)cc34)c2c1.
What is the InChIKey of acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline?
The InChIKey is VMKQUODOFZERKS-BJILWQEISA-N. The full InChI is InChI=1S/C22H18N2O2.C2H4O2/c1-25-17-5-7-21-19(13-17)15(9-11-23-21)3-4-16-10-12-24-22-8-6-18(26-2)14-20(16)22;1-2(3)4/h3-14H,1-2H3;1H3,(H,3,4)/b4-3+;.
What are the key properties of acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline?
acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline has a molecular weight of 402.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline is sourced from PubChem (CID 16682406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).