N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine

C31H32F2N4O2 — CID 5365288

IUPACN-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)c(OC)c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc12
InChIInChI=1S/C31H32F2N4O2/c1-37(2)19-5-18-34-27-20-28(38-3)29-30(31(27)39-4)36-26(17-11-22-8-14-24(33)15-9-22)25(35-29)16-10-21-6-12-23(32)13-7-21/h6-17,20,34H,5,18-19H2,1-4H3/b16-10+,17-11+
InChIKeyPQFRNAFPSIBVNR-OTYYAQKOSA-N
MW530.62 g/mol
LogP6.63
Rot. Bonds11

About N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 5365288) has the molecular formula C31H32F2N4O2 and a molecular weight of 530.62 g/mol. Its IUPAC name is N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID5365288
Molecular FormulaC31H32F2N4O2
Molecular Weight530.62 g/mol
Exact Mass530.25
IUPAC NameN-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)c(OC)c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc12
InChIInChI=1S/C31H32F2N4O2/c1-37(2)19-5-18-34-27-20-28(38-3)29-30(31(27)39-4)36-26(17-11-22-8-14-24(33)15-9-22)25(35-29)16-10-21-6-12-23(32)13-7-21/h6-17,20,34H,5,18-19H2,1-4H3/b16-10+,17-11+
InChIKeyPQFRNAFPSIBVNR-OTYYAQKOSA-N
XLogP6.63
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine (CID 5365288) is N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine is COc1cc(NCCCN(C)C)c(OC)c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc12.
What is the InChIKey of N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PQFRNAFPSIBVNR-OTYYAQKOSA-N. The full InChI is InChI=1S/C31H32F2N4O2/c1-37(2)19-5-18-34-27-20-28(38-3)29-30(31(27)39-4)36-26(17-11-22-8-14-24(33)15-9-22)25(35-29)16-10-21-6-12-23(32)13-7-21/h6-17,20,34H,5,18-19H2,1-4H3/b16-10+,17-11+.
What are the key properties of N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 530.62 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis[(E)-2-(4-fluorophenyl)ethenyl]-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 5365288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).