N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C24H25N5O4 — CID 134486867

IUPACN-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2COCO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C24H25N5O4/c1-28-12-16(10-26-28)24-11-25-22-5-4-17(8-23(22)27-24)29(13-21-14-32-15-33-21)18-6-19(30-2)9-20(7-18)31-3/h4-12,21H,13-15H2,1-3H3
InChIKeyQPOFIHMSYIZTCG-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.56
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 134486867) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID134486867
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2COCO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C24H25N5O4/c1-28-12-16(10-26-28)24-11-25-22-5-4-17(8-23(22)27-24)29(13-21-14-32-15-33-21)18-6-19(30-2)9-20(7-18)31-3/h4-12,21H,13-15H2,1-3H3
InChIKeyQPOFIHMSYIZTCG-UHFFFAOYSA-N
XLogP3.56
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644045
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
CID 88888571
CID 88888571
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288
N-[2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122643971
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
[(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1-difluoropropan-2-yl] acetate
CID 89450055
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
CID 122644031
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
N-[(6-bromo-2-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 88888579
2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]pyridine-4-carbonitrile
CID 89450049

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 134486867) is N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2COCO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is QPOFIHMSYIZTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-28-12-16(10-26-28)24-11-25-22-5-4-17(8-23(22)27-24)29(13-21-14-32-15-33-21)18-6-19(30-2)9-20(7-18)31-3/h4-12,21H,13-15H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 447.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 134486867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).