(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane

C26H31N5O2 — CID 158730300

IUPAC(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane
SMILESC.COc1cc(OC)cc(/C(=C\CN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C25H27N5O2.CH4/c1-29(2)9-8-22(18-10-20(31-4)13-21(11-18)32-5)17-6-7-23-24(12-17)28-25(15-26-23)19-14-27-30(3)16-19;/h6-8,10-16H,9H2,1-5H3;1H4/b22-8-;
InChIKeyIKZXXLXLIWOHQY-YKIDUCPCSA-N
MW445.57 g/mol
LogP4.68
Rot. Bonds7

About (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane

(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane (PubChem CID 158730300) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane
PubChem CID158730300
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane
SMILESC.COc1cc(OC)cc(/C(=C\CN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C25H27N5O2.CH4/c1-29(2)9-8-22(18-10-20(31-4)13-21(11-18)32-5)17-6-7-23-24(12-17)28-25(15-26-23)19-14-27-30(3)16-19;/h6-8,10-16H,9H2,1-5H3;1H4/b22-8-;
InChIKeyIKZXXLXLIWOHQY-YKIDUCPCSA-N
XLogP4.68
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylprop-2-en-1-amine;methane
CID 158185236
(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 67963068
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(E)-prop-1-enyl]quinoxalin-6-amine
CID 167052862
N-(3,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644045
N'-[(R)-(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]methyl]-N-propan-2-ylethane-1,2-diamine;methane;hydrochloride
CID 158783297
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 134486867
2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]pyridine-4-carbonitrile
CID 89450049
1-(3,5-dimethoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propan-2-one
CID 123860730
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363
CID 88888571
CID 88888571

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane?
The IUPAC name of (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane (CID 158730300) is (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane.
What is the SMILES notation for (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane?
The canonical SMILES for (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane is C.COc1cc(OC)cc(/C(=C\CN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane?
The InChIKey is IKZXXLXLIWOHQY-YKIDUCPCSA-N. The full InChI is InChI=1S/C25H27N5O2.CH4/c1-29(2)9-8-22(18-10-20(31-4)13-21(11-18)32-5)17-6-7-23-24(12-17)28-25(15-26-23)19-14-27-30(3)16-19;/h6-8,10-16H,9H2,1-5H3;1H4/b22-8-;.
What are the key properties of (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane?
(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane has a molecular weight of 445.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane is sourced from PubChem (CID 158730300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).