N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine

C26H25N5O2 — CID 159351999

IUPACN-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2=NCC=C2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1
InChIInChI=1S/C26H25N5O2/c1-30-10-8-18(16-30)26-15-28-24-7-6-20(13-25(24)29-26)31(17-19-5-4-9-27-19)21-11-22(32-2)14-23(12-21)33-3/h4-8,10-16H,9,17H2,1-3H3
InChIKeyQXPNDLREXBYOOW-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.80
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine (PubChem CID 159351999) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine
PubChem CID159351999
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2=NCC=C2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1
InChIInChI=1S/C26H25N5O2/c1-30-10-8-18(16-30)26-15-28-24-7-6-20(13-25(24)29-26)31(17-19-5-4-9-27-19)21-11-22(32-2)14-23(12-21)33-3/h4-8,10-16H,9,17H2,1-3H3
InChIKeyQXPNDLREXBYOOW-UHFFFAOYSA-N
XLogP4.80
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine
CID 122644171
(2S)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)propane-1,2-diol
CID 122644177
2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)-N-pyridin-2-ylacetamide
CID 122644159
N-[(6-bromo-2-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 88888579
N-(3,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644045
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]pyridine-4-carbonitrile
CID 89450049
5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol
CID 122644156
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363
CID 88888571
CID 88888571
2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol
CID 118014706
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine (CID 159351999) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2=NCC=C2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine?
The InChIKey is QXPNDLREXBYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-30-10-8-18(16-30)26-15-28-24-7-6-20(13-25(24)29-26)31(17-19-5-4-9-27-19)21-11-22(32-2)14-23(12-21)33-3/h4-8,10-16H,9,17H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine has a molecular weight of 439.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 159351999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).