5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol

C23H22N4O2 — CID 122644156

IUPAC5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol
SMILESCn1ccc(-c2cnc3ccc(N(CC4CC4)c4cc(O)cc(O)c4)cc3n2)c1
InChIInChI=1S/C23H22N4O2/c1-26-7-6-16(14-26)23-12-24-21-5-4-17(10-22(21)25-23)27(13-15-2-3-15)18-8-19(28)11-20(29)9-18/h4-12,14-15,28-29H,2-3,13H2,1H3
InChIKeyZXOFAKRTPVNYMT-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.59
Rot. Bonds5

About 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol

5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol (PubChem CID 122644156) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol.

Molecular Properties

Compound Name5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol
PubChem CID122644156
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol
SMILESCn1ccc(-c2cnc3ccc(N(CC4CC4)c4cc(O)cc(O)c4)cc3n2)c1
InChIInChI=1S/C23H22N4O2/c1-26-7-6-16(14-26)23-12-24-21-5-4-17(10-22(21)25-23)27(13-15-2-3-15)18-8-19(28)11-20(29)9-18/h4-12,14-15,28-29H,2-3,13H2,1H3
InChIKeyZXOFAKRTPVNYMT-UHFFFAOYSA-N
XLogP4.59
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 88888571
CID 88888571
CID 159734316
CID 159734316
2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 89447210
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-(2H-pyrrol-5-ylmethyl)quinoxalin-6-amine
CID 159351999
(2S)-3-(3-fluoro-5-methoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)propane-1,2-diol
CID 122644177
N-[3-(aminomethyl)-5-methoxyphenyl]-N-(cyclopropylmethyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 118014689
N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine
CID 122644171
2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)-N-pyridin-2-ylacetamide
CID 122644159
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione
CID 165008391
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine
CID 71526005
N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 134486867
N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 159683053

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol?
The IUPAC name of 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol (CID 122644156) is 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol.
What is the SMILES notation for 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol?
The canonical SMILES for 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol is Cn1ccc(-c2cnc3ccc(N(CC4CC4)c4cc(O)cc(O)c4)cc3n2)c1.
What is the InChIKey of 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol?
The InChIKey is ZXOFAKRTPVNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-7-6-16(14-26)23-12-24-21-5-4-17(10-22(21)25-23)27(13-15-2-3-15)18-8-19(28)11-20(29)9-18/h4-12,14-15,28-29H,2-3,13H2,1H3.
What are the key properties of 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol?
5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol has a molecular weight of 386.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol is sourced from PubChem (CID 122644156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).