N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine

C28H32N4O2 — CID 547513

IUPACN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12
InChIInChI=1S/C28H32N4O2/c1-32(2)16-15-29-24-19-25(33-3)26-27(28(24)34-4)31-23(18-21-13-9-6-10-14-21)22(30-26)17-20-11-7-5-8-12-20/h5-14,19,29H,15-18H2,1-4H3
InChIKeyUXNIDFQZGIAFEP-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.80
Rot. Bonds10

About N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 547513) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID547513
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12
InChIInChI=1S/C28H32N4O2/c1-32(2)16-15-29-24-19-25(33-3)26-27(28(24)34-4)31-23(18-21-13-9-6-10-14-21)22(30-26)17-20-11-7-5-8-12-20/h5-14,19,29H,15-18H2,1-4H3
InChIKeyUXNIDFQZGIAFEP-UHFFFAOYSA-N
XLogP4.80
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

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2-(2,6-diethylphenyl)-N-(2,5-dimethoxyphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
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N-(2,5-dimethoxyphenyl)acridin-9-amine
CID 2951506
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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
N-[4-[(3-methoxyacridin-9-yl)amino]-3-(methylamino)phenyl]methanesulfonamide
CID 13663261
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 547513) is N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine is COc1cc(NCCN(C)C)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12.
What is the InChIKey of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UXNIDFQZGIAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-32(2)16-15-29-24-19-25(33-3)26-27(28(24)34-4)31-23(18-21-13-9-6-10-14-21)22(30-26)17-20-11-7-5-8-12-20/h5-14,19,29H,15-18H2,1-4H3.
What are the key properties of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 456.59 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).