8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane

C31H30ClNO — CID 142200028

IUPAC8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane
SMILESC=C/C=C(\C=C)CC(c1ccc(Cl)cc1)c1cccc(-c2cccc3cccnc23)c1.COC
InChIInChI=1S/C29H24ClN.C2H6O/c1-3-8-21(4-2)19-28(22-14-16-26(30)17-15-22)25-11-5-10-24(20-25)27-13-6-9-23-12-7-18-31-29(23)27;1-3-2/h3-18,20,28H,1-2,19H2;1-2H3/b21-8+;
InChIKeyCUNJPZXHZNLHPV-LQGGPMKRSA-N
MW468.04 g/mol
LogP8.64
Rot. Bonds7

About 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane

8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane (PubChem CID 142200028) has the molecular formula C31H30ClNO and a molecular weight of 468.04 g/mol. Its IUPAC name is 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane.

Molecular Properties

Compound Name8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane
PubChem CID142200028
Molecular FormulaC31H30ClNO
Molecular Weight468.04 g/mol
Exact Mass467.20
IUPAC Name8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane
SMILESC=C/C=C(\C=C)CC(c1ccc(Cl)cc1)c1cccc(-c2cccc3cccnc23)c1.COC
InChIInChI=1S/C29H24ClN.C2H6O/c1-3-8-21(4-2)19-28(22-14-16-26(30)17-15-22)25-11-5-10-24(20-25)27-13-6-9-23-12-7-18-31-29(23)27;1-3-2/h3-18,20,28H,1-2,19H2;1-2H3/b21-8+;
InChIKeyCUNJPZXHZNLHPV-LQGGPMKRSA-N
XLogP8.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane with MolForge

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Related Compounds

3-(3-quinolin-8-ylphenyl)butanoic acid
CID 82543049
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 5-chloro-2-[[(E)-3-(3-quinolin-8-ylphenyl)prop-2-enoyl]amino]benzoate
CID 66680207
2-chloro-4-quinolin-8-ylaniline
CID 107607720
8-(4-ethenyl-3-ethylphenyl)quinoline
CID 129042695
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
2-chloro-5-quinolin-8-ylaniline
CID 81224974
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane?
The IUPAC name of 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane (CID 142200028) is 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane.
What is the SMILES notation for 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane?
The canonical SMILES for 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane is C=C/C=C(\C=C)CC(c1ccc(Cl)cc1)c1cccc(-c2cccc3cccnc23)c1.COC.
What is the InChIKey of 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane?
The InChIKey is CUNJPZXHZNLHPV-LQGGPMKRSA-N. The full InChI is InChI=1S/C29H24ClN.C2H6O/c1-3-8-21(4-2)19-28(22-14-16-26(30)17-15-22)25-11-5-10-24(20-25)27-13-6-9-23-12-7-18-31-29(23)27;1-3-2/h3-18,20,28H,1-2,19H2;1-2H3/b21-8+;.
What are the key properties of 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane?
8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane has a molecular weight of 468.04 g/mol, XLogP of 8.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane is sourced from PubChem (CID 142200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).