N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine

C27H30N4O2 — CID 547663

IUPACN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H30N4O2/c1-31(2)17-11-16-28-21-18-22(32-3)25-26(27(21)33-4)30-24(20-14-9-6-10-15-20)23(29-25)19-12-7-5-8-13-19/h5-10,12-15,18,28H,11,16-17H2,1-4H3
InChIKeyGKUFXKBXJJOZDC-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.34
Rot. Bonds9

About N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine

N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 547663) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID547663
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H30N4O2/c1-31(2)17-11-16-28-21-18-22(32-3)25-26(27(21)33-4)30-24(20-14-9-6-10-15-20)23(29-25)19-12-7-5-8-13-19/h5-10,12-15,18,28H,11,16-17H2,1-4H3
InChIKeyGKUFXKBXJJOZDC-UHFFFAOYSA-N
XLogP5.34
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.34
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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Related Compounds

1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-
CID 334401
Damsacrine
CID 341919
N-(2,5-dimethoxyphenyl)acridin-9-amine
CID 2951506
4-N-acridin-9-yl-1-N-hexyl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10597854
4-N-acridin-9-yl-1-N-hexyl-2-methoxybenzene-1,4-diamine
CID 10668640
methyl N-[4-[(3-methoxyacridin-9-yl)amino]-3-(methylamino)phenyl]carbamate
CID 13904946
methyl N-[4-[(4-methoxyacridin-9-yl)amino]-3-(methylamino)phenyl]carbamate
CID 13904957
5,8-Dimethoxy-2,3-diphenylquinoxaline
CID 288312
N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 54591211
Methanesulfon-m-anisidide, 4'-(3-(methylamino)-9-acridinylamino)-
CID 149297
Quinoxaline, 2,3-dibenzyl-5,8-dimethoxy-6-((2-(dimethylamino)ethyl)-
CID 547513
Quinoxaline, 5,8-dimethoxy-6-((2-(dimethylamino)ethyl)amino)-2,3-dimethyl-
CID 547586

Frequently Asked Questions

What is the IUPAC name of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine (CID 547663) is N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(NCCCN(C)C)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GKUFXKBXJJOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-31(2)17-11-16-28-21-18-22(32-3)25-26(27(21)33-4)30-24(20-14-9-6-10-15-20)23(29-25)19-12-7-5-8-13-19/h5-10,12-15,18,28H,11,16-17H2,1-4H3.
What are the key properties of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 442.56 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).